data_2n4q_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 2n4q _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 332' ' ' SER . . . . . 0.47 ' H ' ' HG ' ' A' ' 332' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.758 0.313 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.58 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.419 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 45.7 mt -125.3 140.25 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.561 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.606 ' CB ' ' HE2' ' B' ' 511' ' ' HIS . . . -118.87 129.56 55.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -106.13 126.74 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 29.0 mt -131.27 92.88 31.26 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.132 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -46.9 121.05 4.61 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.354 2.036 . . . . 0.0 112.158 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 34.0 m -47.35 -27.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.04 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -97.61 -51.69 4.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.1 mt -78.2 -59.09 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.741 0.305 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.57 -35.98 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -48.89 77.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.35 -49.52 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 7.1 mt -50.56 -47.17 57.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.75 -49.95 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.53 -41.73 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.16 -61.56 2.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.522 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 511' ' ' HIS . . . . . 0.606 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 0.3 OUTLIER -53.65 -40.74 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -56.71 -49.71 74.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.627 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.74 -38.62 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.7 tpt -57.42 -10.77 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 3.2 p -100.06 -25.34 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.95 162.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -131.52 6.76 4.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 519' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' B' ' 519' ' ' GLU . 8.7 mp0 -85.29 111.81 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -74.99 -38.84 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.675 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -55.1 28.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.3 mt -54.35 -32.77 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -41.62 97.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.737 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -59.71 -45.4 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 525' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' B' ' 525' ' ' GLN . 0.6 OUTLIER -58.96 -45.88 89.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 110.527 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 48.3 mt -55.19 -50.2 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.374 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 61.4 t -45.93 -47.06 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.519 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -58.64 -39.69 81.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -39.63 79.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 9.5 mm -67.13 -35.71 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.416 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.51 -27.88 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.569 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.58 -44.33 87.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.8 t -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.76 27.78 1.48 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.53 100.84 6.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.747 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -175.07 -177.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.727 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 537' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' B' ' 544' ' ' ASP . 2.0 t60 -137.23 101.31 4.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.61 127.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.5 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -88.16 153.66 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.441 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -65.09 -10.5 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.6 13.55 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.6 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 542' ' ' THR . . . . . 0.5 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.3 167.01 12.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -131.33 120.08 22.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -139.5 152.72 47.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -151.4 146.32 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.643 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . 0.446 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.32 140.24 31.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.95 -37.66 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 548' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' B' ' 548' ' ' CYS . 48.9 t -77.44 6.75 6.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 549' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 36.4 p -104.48 -27.94 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 39.3 mt -57.98 164.51 2.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' B' ' 551' ' ' ASP . 0.4 OUTLIER -98.17 168.89 9.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -40.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.356 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 10.2 m -53.87 -55.74 24.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -60.04 4.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.725 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 58.7 t -48.22 -39.98 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -44.83 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -36.55 83.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.426 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.35 -43.17 98.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -60.61 -40.3 91.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -32.34 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.6 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.08 -50.74 72.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.461 0.084 0 CA-C-O 120.875 0.369 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.0 tp -151.98 100.09 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.35 141.79 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.532 ' CB ' ' HE2' ' B' ' 511' ' ' HIS . . . -118.96 130.88 55.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -106.77 123.78 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 23.9 mt -125.87 89.87 51.52 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.219 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -46.98 123.26 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.281 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 341' ' ' ARG . 1.2 m -42.25 -37.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.571 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -50.46 -11.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 339' ' ' VAL . 32.3 ttm180 -97.47 -55.93 2.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.1 mt -74.6 -55.34 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.571 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.799 0.333 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.51 -48.54 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.631 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -46.82 66.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 506' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 559' ' ' GLN . 3.0 mm-40 -59.02 -50.95 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 10.0 mt -54.31 -44.44 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 39.6 t -64.56 -49.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.476 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.77 -44.23 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.35 -59.97 4.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 511' ' ' HIS . . . . . 0.532 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 0.5 OUTLIER -50.26 -37.87 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -50.98 71.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -63.27 -34.45 77.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -44.11 97.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 27.0 mtp -58.83 -12.74 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.1 m -95.04 -33.64 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.47 144.75 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 19.69 8.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.615 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -100.07 101.35 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -32.64 74.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.513 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -55.5 -40.17 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.23 -33.23 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.24 -41.7 96.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.574 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -55.73 -50.9 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.4 -45.13 92.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 31.7 mt -55.84 -53.12 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 36.4 t -41.87 -43.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.34 -42.6 96.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -36.41 69.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 11.4 mm -71.75 -38.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.48 -26.92 65.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 1.9 t -72.46 1.9 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 45.23 27.0 1.57 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.19 97.17 5.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.662 0.267 . . . . 0.0 110.722 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -174.02 -176.72 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 537' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.0 OUTLIER -139.5 101.14 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.501 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.87 136.28 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.46 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -97.11 156.63 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.435 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -58.48 -23.63 58.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 1.2 p -139.66 25.56 2.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 542' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.33 165.64 15.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.577 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -134.98 115.18 13.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' B' ' 537' ' ' HIS . 6.8 p30 -136.9 149.25 47.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.479 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -142.54 144.51 32.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.01 138.95 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.39 -35.56 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.357 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 11.19 3.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 549' ' ' SER . . . . . 0.411 ' CB ' ' OD2' ' B' ' 546' ' ' ASP . 28.3 m -106.77 -25.99 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 44.1 mt -71.43 143.68 50.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -83.88 -177.81 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 552' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' B' ' 556' ' ' ARG . 0.5 OUTLIER -63.8 -20.69 65.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 94.7 m -62.95 -56.88 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.516 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -56.72 8.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.736 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 94.9 t -43.09 -37.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.701 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' B' ' 552' ' ' LYS . 15.6 mmm180 -68.98 -48.34 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -60.87 -34.17 74.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.16 -44.56 72.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' B' ' 506' ' ' GLU . 24.0 mt-30 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 64.7 m -70.43 -43.72 69.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.2 -45.73 34.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.357 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.8 tp -137.78 102.96 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.439 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 2.7 mp -129.24 140.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.776 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.49 ' CB ' ' HE2' ' B' ' 511' ' ' HIS . . . -116.32 127.27 54.55 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.709 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 121.22 43.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.66 89.8 24.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.878 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -49.22 125.97 14.57 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.255 1.97 . . . . 0.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 341' ' ' ARG . 11.3 m -43.9 -38.23 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -49.99 -10.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 339' ' ' VAL . 64.5 ttt180 -97.34 -53.2 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.752 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.2 mt -77.65 -58.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.527 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.752 0.31 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.97 -34.4 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.514 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -46.63 89.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -59.24 -54.22 49.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 5.6 mt -48.69 -51.75 26.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.47 -48.48 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.3 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -40.81 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.85 -61.52 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 511' ' ' HIS . . . . . 0.49 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 1.3 t60 -49.09 -35.3 15.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.334 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -56.97 15.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.05 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 513' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' B' ' 516' ' ' THR . 51.3 mtt180 -64.01 -25.02 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.727 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -43.05 88.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 28.7 mtt -54.73 -28.61 49.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 516' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 513' ' ' ARG . 7.2 p -88.45 5.3 43.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.531 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.7 tp -82.32 120.85 25.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -95.19 -28.06 15.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.45 101.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -72.29 -31.17 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.57 -47.31 84.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.7 mt -60.2 -32.77 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.08 -39.84 91.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -60.52 -44.22 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -61.58 -46.07 91.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 51.6 mt -56.5 -51.84 60.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 48.6 t -43.27 -45.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.464 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 529' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 532' ' ' GLU . 5.9 tp -52.28 -61.56 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 109.904 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 8.5 mm -45.99 -40.75 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.459 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 531' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' B' ' 536' ' ' PHE . 6.9 mm-40 -72.3 -27.51 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.186 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 532' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' B' ' 529' ' ' LEU . 26.9 tt0 -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.3 t -72.9 3.05 5.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.438 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.78 25.7 5.09 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 535' ' ' HIS . . . . . 0.403 ' ND1' ' OG ' ' B' ' 549' ' ' SER . 0.5 OUTLIER -123.47 101.03 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.68 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 536' ' ' PHE . . . . . 0.5 ' CZ ' ' OE1' ' B' ' 531' ' ' GLU . 51.4 p90 -174.1 -176.31 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.711 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.65 101.25 4.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.52 119.15 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.652 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.476 ' N ' ' O ' ' B' ' 542' ' ' THR . 1.1 m -81.63 153.85 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.83 -8.13 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 81.1 p -140.19 11.82 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 542' ' ' THR . . . . . 0.476 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.31 168.17 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -133.08 117.83 18.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -139.02 161.59 37.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 545' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' B' ' 545' ' ' PHE . 6.3 p90 -152.31 142.99 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.677 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.52 111.25 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.29 -32.29 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.432 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 548' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.0 OUTLIER -71.59 -11.57 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.521 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 549' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' B' ' 549' ' ' SER . 16.3 t -100.65 25.74 7.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.45 142.13 34.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.368 . . . . 0.0 110.629 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 551' ' ' ASP . 0.7 OUTLIER -83.48 169.25 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.71 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 552' ' ' LYS . . . . . 0.476 ' H ' ' CD ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -55.86 -41.92 75.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.8 m -55.73 -56.83 15.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 554' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 551' ' ' ASP . 9.4 p -51.74 -58.3 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.3 t -51.07 -44.47 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.638 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -44.77 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.534 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.368 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.78 -40.55 84.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.349 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -43.16 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.502 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -49.0 -46.67 44.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.636 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.724 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 332' ' ' SER . 53.8 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.787 0.327 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.55 102.42 5.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.98 140.47 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.615 ' CB ' ' HE2' ' B' ' 511' ' ' HIS . . . -109.17 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -113.87 104.76 12.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.215 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.32 129.22 24.17 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.73 122.38 7.74 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.845 1.697 . . . . 0.0 112.219 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 5.9 m -49.36 -27.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -97.68 -52.34 3.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.32 -58.26 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.539 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.441 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.79 0.329 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 4.5 mp -71.75 -45.3 62.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -49.32 -45.52 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.95 -51.26 70.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.87 -50.32 61.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.04 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.636 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.03 -53.83 52.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.623 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 511' ' ' HIS . . . . . 0.615 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 0.1 OUTLIER -61.19 -40.17 92.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.69 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -54.36 -42.57 70.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -66.36 -43.91 84.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 514' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' B' ' 517' ' ' LEU . 6.4 mp -49.56 -44.78 47.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.433 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.5 mmt -43.43 -23.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 516' ' ' THR . . . . . 0.425 ' N ' ' O ' ' B' ' 514' ' ' LEU . 24.3 m -93.0 -28.58 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.741 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 517' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 514' ' ' LEU . 0.9 OUTLIER -61.47 130.6 46.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.484 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 -30.09 9.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.7 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -68.92 -24.76 64.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -61.51 -59.9 4.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.364 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 69.7 mt -50.91 -33.74 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.23 -46.34 65.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 0.0 110.701 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -59.62 -45.08 93.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.119 0.485 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.84 -55.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 16.2 t -43.62 -42.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -42.9 91.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.186 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.07 -36.63 77.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 7.8 mm -69.49 -34.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.926 0.393 . . . . 0.0 110.361 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -73.58 -30.38 62.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.603 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -44.91 96.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.2 t -73.65 4.06 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.623 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.17 26.52 4.73 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.03 97.9 5.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.913 0.387 . . . . 0.0 110.778 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -174.44 -179.23 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.785 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.1 101.83 4.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.2 tt -88.99 119.08 35.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.439 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -86.68 154.95 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.447 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -54.44 -33.33 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.701 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 6.9 p -135.82 29.26 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.628 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 542' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.46 165.74 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -136.63 108.05 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -128.64 157.73 40.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 545' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 545' ' ' PHE . 11.6 p90 -160.99 151.53 18.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.64 140.62 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.987 0.422 . . . . 0.0 110.853 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . 0.531 ' C ' ' H ' ' B' ' 549' ' ' SER . 3.8 mm? -76.25 -41.28 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 1.7 t -70.47 14.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 549' ' ' SER . . . . . 0.531 ' H ' ' C ' ' B' ' 547' ' ' LEU . 33.5 m -113.02 -28.02 7.85 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 13.8 mt -70.67 120.5 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.74 152.23 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.553 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 552' ' ' LYS . . . . . 0.502 ' H ' ' CD ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -45.17 -37.62 4.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 553' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' B' ' 554' ' ' THR . 1.0 OUTLIER -48.72 -56.69 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 554' ' ' THR . . . . . 0.463 ' N ' ' OG1' ' B' ' 553' ' ' THR . 7.3 m -60.06 -52.28 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.488 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 55.6 t -46.18 -44.57 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.471 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -58.8 -48.7 80.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -56.21 -49.05 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 80.3 mt -55.43 -43.54 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -55.63 -38.25 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -41.53 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -47.76 -51.41 22.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.9 tp -141.52 102.43 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.64 141.28 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' B' ' 544' ' ' ASP . . . -122.14 131.31 53.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -112.03 133.03 54.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 4.8 mt -138.4 95.14 10.39 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.33 121.5 4.66 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.38 2.054 . . . . 0.0 112.372 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.49 ' C ' ' H ' ' A' ' 341' ' ' ARG . 29.2 m -46.73 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -51.42 -11.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . 0.49 ' H ' ' C ' ' A' ' 339' ' ' VAL . 1.2 ttt180 -97.06 -56.97 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.1 mt -71.72 -58.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.748 0.308 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 2.8 mt -76.13 -48.4 20.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.494 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.73 -37.9 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.348 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.37 -48.16 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.22 -40.4 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 31.1 t -66.02 -44.44 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.345 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.58 -37.78 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.545 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.63 -56.97 14.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 511' ' ' HIS . . . . . 0.418 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -53.68 -42.06 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -57.03 -56.6 19.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 513' ' ' ARG . . . . . 0.426 ' CG ' HH11 ' B' ' 513' ' ' ARG . 5.2 mtt85 -57.51 -40.97 79.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 514' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' B' ' 516' ' ' THR . 0.6 OUTLIER -57.17 -44.86 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.524 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.57 -3.84 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.486 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 516' ' ' THR . . . . . 0.437 ' H ' ' C ' ' B' ' 514' ' ' LEU . 0.2 OUTLIER -101.12 -21.26 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.526 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.13 147.96 51.58 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -38.16 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.537 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.12 112.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -73.86 -36.92 64.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -54.1 -34.5 60.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 1.6 mm -69.54 -35.07 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.38 -38.72 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -60.43 -51.8 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -54.61 -43.08 71.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.572 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 43.0 mt -58.1 -50.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.37 -41.53 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.19 -42.68 99.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -36.57 62.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 12.2 mm -70.51 -43.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.289 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.11 -26.09 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.71 -50.41 69.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.5 t -72.14 3.42 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.435 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 43.45 26.12 0.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -116.89 97.71 6.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -172.51 -176.34 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 537' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' B' ' 544' ' ' ASP . 1.2 t60 -137.83 101.23 4.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.13 127.41 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.946 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.486 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -81.77 156.07 25.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.334 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.7 -19.8 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 10.2 p -138.99 22.72 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 542' ' ' THR . . . . . 0.486 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.78 167.26 13.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -128.19 122.14 31.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.767 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 545' ' ' PHE . 6.4 t0 -138.39 151.58 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 545' ' ' PHE . . . . . 0.483 ' N ' ' OD1' ' B' ' 544' ' ' ASP . 9.1 p90 -150.29 141.59 23.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.374 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 8.9 t0 -84.12 139.97 32.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . 0.516 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 4.0 mm? -79.95 -36.25 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.75 9.36 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.699 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 549' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 77.9 p -107.69 -25.26 11.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.413 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.46 123.92 20.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 553' ' ' THR . 1.8 m-20 -64.54 152.95 40.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.262 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -18.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.693 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 553' ' ' THR . . . . . 0.528 ' N ' ' O ' ' B' ' 551' ' ' ASP . 5.9 m -65.29 -56.25 13.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.439 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.45 4.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.433 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 60.6 t -41.56 -44.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.657 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.876 0.369 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -61.44 -49.29 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 0.0 110.519 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.01 -41.72 71.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -57.43 -41.35 80.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.196 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 560' ' ' SER . . . . . 0.587 ' HG ' ' N ' ' B' ' 561' ' ' TYR . 64.8 p -69.23 -40.28 78.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 561' ' ' TYR . . . . . 0.587 ' N ' ' HG ' ' B' ' 560' ' ' SER . 1.7 m-85 -48.97 -49.36 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.811 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.708 0.29 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 1.4 tp -91.05 101.23 13.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.407 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 44.4 mt -128.06 140.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.499 ' CB ' ' HE2' ' B' ' 511' ' ' HIS . . . -124.13 133.23 53.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.672 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -101.8 141.62 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.243 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -138.36 92.62 11.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.37 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.37 121.41 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.131 1.887 . . . . 0.0 112.298 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 341' ' ' ARG . 15.5 m -47.65 -35.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.404 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.55 -8.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . 0.526 ' H ' ' C ' ' A' ' 339' ' ' VAL . 57.7 ttt180 -97.04 -56.43 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 1.8 mt -77.99 -57.77 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.416 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.83 0.348 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.59 -45.67 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.01 -44.37 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.543 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.24 -52.29 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.47 -50.06 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.668 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 52.1 t -55.86 -46.31 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.407 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.11 -42.05 97.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -58.32 7.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 511' ' ' HIS . . . . . 0.499 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 0.1 OUTLIER -58.15 -49.17 77.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.63 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -47.4 21.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.737 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -73.21 -45.94 53.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.71 -25.05 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.716 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 14.0 ttm -73.83 -25.54 60.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -84.99 -20.02 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.83 161.71 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -131.45 9.75 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -85.37 99.41 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -72.13 -31.49 66.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.41 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.58 -32.96 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.27 -37.4 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -62.74 -47.04 85.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -40.79 85.77 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 35.7 mt -58.1 -50.29 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 85.2 t -42.13 -45.61 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 528' ' ' ASN . . . . . 0.547 ' ND2' ' N ' ' B' ' 528' ' ' ASN . 0.7 OUTLIER -62.21 -40.96 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.162 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -35.21 70.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 10.3 mm -71.09 -36.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.933 0.397 . . . . 0.0 110.412 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -70.4 -31.2 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.87 -48.3 81.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.5 t -72.61 3.82 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.92 29.79 0.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.4 96.63 5.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.754 0.311 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -173.91 -173.63 0.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -143.89 100.86 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.88 129.35 44.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.681 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.419 ' N ' ' O ' ' B' ' 542' ' ' THR . 24.2 m -96.3 153.06 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.85 -0.61 5.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.95 4.49 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.572 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 542' ' ' THR . . . . . 0.419 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.96 168.13 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.422 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -126.9 112.35 15.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.26 158.6 33.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -156.38 144.46 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.434 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -87.27 138.13 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.88 -34.28 39.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.05 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.06 0.96 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 549' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 59.2 p -100.7 -19.49 16.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.258 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 551' ' ' ASP . 21.6 mt -73.63 115.26 12.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.534 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' B' ' 550' ' ' LEU . 0.5 OUTLIER -53.81 -168.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -33.47 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.9 m -53.48 -57.04 12.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -57.6 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.726 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 96.0 t -44.89 -41.35 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -67.28 -44.3 79.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.596 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -35.5 72.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.49 -50.02 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.464 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -34.48 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -46.17 46.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.56 -46.18 27.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.439 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.849 0.356 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.66 100.54 2.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.431 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 51.8 mt -133.19 141.89 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.062 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -120.36 128.92 53.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.488 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 46.2 mtm-85 -96.18 131.69 42.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.462 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.52 89.82 45.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.055 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.78 120.88 7.14 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.216 1.944 . . . . 0.0 112.255 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.403 ' C ' ' H ' ' A' ' 341' ' ' ARG . 28.7 m -51.58 -29.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.1 -13.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' A' ' 339' ' ' VAL . 83.4 mtt180 -97.59 -57.37 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 3.1 mt -68.87 -58.93 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.775 0.321 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.94 -40.1 96.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.434 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -44.79 95.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.5 -48.87 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.678 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.45 -43.24 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.12 -43.76 98.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.407 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.83 -49.63 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 511' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -47.01 71.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 512' ' ' ARG . . . . . 0.46 HH11 ' CG ' ' B' ' 512' ' ' ARG . 0.7 OUTLIER -56.24 -48.36 76.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -68.02 -42.13 81.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 514' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' B' ' 516' ' ' THR . 0.8 OUTLIER -61.07 -44.93 96.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 7.3 mtt -54.23 -9.02 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.533 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 516' ' ' THR . . . . . 0.482 ' H ' ' C ' ' B' ' 514' ' ' LEU . 3.5 m -99.24 -20.62 16.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 138.69 53.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.485 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -121.81 -31.22 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.438 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -45.77 118.26 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -74.61 -43.25 56.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -44.94 -57.54 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.9 -33.42 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.528 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 3.1 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.704 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -58.89 -48.47 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.386 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.3 -42.88 82.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 49.1 mt -57.24 -50.74 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 527' ' ' VAL . . . . . 0.434 ' O ' ' OE2' ' B' ' 531' ' ' GLU . 57.8 t -43.34 -45.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.477 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.22 -47.01 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -38.65 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.459 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 36.7 mm -70.22 -47.67 65.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.153 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 531' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 527' ' ' VAL . 0.3 OUTLIER -59.24 -23.28 62.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.98 -51.38 55.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 1.8 t -73.21 3.57 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.77 29.24 0.49 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -116.47 99.0 6.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.704 0.288 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -174.67 -177.27 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.627 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.34 101.49 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.421 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.19 124.57 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.79 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.434 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.3 OUTLIER -83.17 156.2 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.5 -24.88 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 11.2 p -134.6 23.79 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 542' ' ' THR . . . . . 0.434 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.22 168.74 11.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -132.85 114.56 14.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -132.65 154.72 49.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.783 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -142.9 140.43 31.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.349 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.81 135.74 34.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' B' ' 549' ' ' SER . 3.8 mm? -76.18 -39.5 54.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 7.26 2.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 549' ' ' SER . . . . . 0.423 ' H ' ' C ' ' B' ' 547' ' ' LEU . 26.6 t -107.38 -22.97 12.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.571 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.5 mt -73.45 124.17 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 553' ' ' THR . 0.0 OUTLIER -64.99 151.82 44.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.907 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 552' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -42.5 -17.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.753 178.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 553' ' ' THR . . . . . 0.541 ' N ' ' O ' ' B' ' 551' ' ' ASP . 6.4 m -67.22 -57.72 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.562 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -43.97 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.312 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 65.5 t -50.25 -47.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -60.82 -43.83 97.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.14 -42.27 99.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.598 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.27 -39.29 82.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.751 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.05 -37.22 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.422 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 53.6 p -71.43 -38.4 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.583 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.14 -45.65 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.624 -179.852 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 65.8 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.915 0.388 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.2 tp -151.59 100.41 2.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.446 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.5 141.89 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -117.28 126.91 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.27 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 336' ' ' ARG . 28.3 ptt-85 -109.52 123.85 50.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.66 89.87 38.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.2 121.55 4.6 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.491 2.127 . . . . 0.0 112.415 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 341' ' ' ARG . 35.0 m -44.55 -39.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -45.67 -16.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 339' ' ' VAL . 1.1 ttt-85 -93.08 -57.46 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.18 -58.61 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.305 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.528 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 13.7 t80 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.776 0.322 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.97 -39.35 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -60.6 -46.24 90.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.15 -48.57 81.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 7.3 mt -54.87 -47.37 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 39.6 t -64.96 -47.33 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.489 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.31 -61.66 2.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.442 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 511' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -45.21 37.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -57.41 -47.49 81.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.662 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -70.27 -30.13 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.39 -38.16 77.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 3.6 mmt -60.91 -13.83 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 4.2 m -93.01 -34.23 13.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.63 153.44 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.618 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -136.94 8.82 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.31 107.51 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.545 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -55.47 26.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.95 -62.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 53.0 mt -50.43 -33.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.5 -47.54 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.66 -42.36 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.7 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.2 -45.32 92.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.255 0.55 . . . . 0.0 110.474 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.97 -53.96 28.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 39.3 t -42.21 -50.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.481 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 528' ' ' ASN . . . . . 0.419 HD21 ' C ' ' B' ' 528' ' ' ASN . 0.2 OUTLIER -54.72 -41.52 70.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.205 179.68 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.53 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 6.9 mm -67.65 -24.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.391 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.31 -31.88 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -64.91 -37.37 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.2 t -72.69 1.61 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.47 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 42.01 29.48 0.59 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 101.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.784 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -175.31 -174.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.34 101.59 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -96.68 124.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.452 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.1 OUTLIER -90.58 150.76 21.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.385 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -2.24 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.752 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.17 6.64 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 542' ' ' THR . . . . . 0.452 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.19 168.65 11.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -135.85 117.15 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.59 163.32 32.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 545' ' ' PHE . . . . . 0.495 ' N ' ' CD1' ' B' ' 545' ' ' PHE . 8.1 p90 -148.47 147.46 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.399 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.14 116.88 28.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.25 -35.36 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 548' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' B' ' 549' ' ' SER . 0.5 OUTLIER -67.37 -39.72 85.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 549' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' B' ' 548' ' ' CYS . 15.1 m -72.92 -22.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.36 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.07 147.02 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 551' ' ' ASP . 0.1 OUTLIER -85.15 -175.28 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -34.0 51.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 553' ' ' THR . . . . . 0.53 ' CG2' ' H ' ' B' ' 554' ' ' THR . 7.1 t -47.86 -56.68 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.536 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 554' ' ' THR . . . . . 0.53 ' H ' ' CG2' ' B' ' 553' ' ' THR . 4.5 m -61.91 -51.33 68.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 85.0 t -45.12 -44.21 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -62.9 -45.87 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.79 -38.07 89.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.96 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -58.46 -36.7 74.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.09 -41.51 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.31 -38.76 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.643 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.824 0.345 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.87 104.43 8.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.348 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 141.22 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -119.57 135.29 54.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.526 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 8.8 ptt-85 -107.26 134.23 50.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.52 89.91 42.54 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -49.71 120.99 6.56 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.312 2.008 . . . . 0.0 111.976 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.532 ' C ' ' H ' ' A' ' 341' ' ' ARG . 0.1 OUTLIER -47.51 -38.12 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.24 -8.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.409 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . 0.532 ' H ' ' C ' ' A' ' 339' ' ' VAL . 23.6 ttp180 -97.49 -57.9 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 5.2 mt -75.28 -58.88 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' LEU . . . . . 0.48 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 16.4 t80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.819 0.343 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.02 -38.79 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.551 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.2 -46.5 88.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 10.1 mt -54.96 -51.78 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 26.8 t -58.9 -56.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -53.49 -43.59 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.75 -54.24 47.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 511' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -35.2 77.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.678 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -57.96 -45.06 87.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -69.6 -43.1 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.58 -38.92 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -7.35 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.512 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 6.6 m -99.6 -24.9 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.66 162.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -129.66 7.24 5.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -93.31 103.6 15.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -69.02 -32.79 72.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -53.43 58.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -33.82 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.5 -45.37 79.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.472 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -57.1 -38.45 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -65.04 -43.46 92.31 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 84.2 mt -55.44 -41.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 64.7 t -46.52 -41.03 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.275 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -44.32 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.236 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 36.6 tp -52.81 -39.47 62.42 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.966 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.6 -48.5 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.519 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.43 -27.44 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.32 -52.71 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.7 t -73.44 3.87 5.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 40.24 29.36 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -117.63 99.91 7.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.726 0.298 . . . . 0.0 110.708 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -174.29 -175.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 537' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -137.61 100.86 4.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.264 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.09 133.28 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.459 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -98.0 153.31 18.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.334 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.84 -9.58 30.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.651 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 45.7 p -140.45 13.83 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 542' ' ' THR . . . . . 0.459 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.15 168.55 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.54 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.15 112.52 11.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -129.36 165.99 20.4 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.447 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -163.16 144.44 9.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 0.0 OUTLIER -92.98 141.07 28.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.851 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 547' ' ' LEU . 3.8 mm? -74.81 -38.37 62.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.592 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 548' ' ' CYS . . . . . 0.492 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.3 OUTLIER -73.13 5.41 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 16.5 t -103.34 -28.28 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.42 151.48 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.626 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.88 152.2 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.499 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 552' ' ' LYS . . . . . 0.466 ' H ' ' CD ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -41.06 -43.06 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 81.3 m -47.72 -54.25 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 3.8 m -63.82 -47.99 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.679 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 57.5 t -56.22 -32.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . 0.537 ' NH1' HE22 ' B' ' 559' ' ' GLN . 33.0 mmt-85 -70.37 -45.6 65.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.788 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -61.48 -35.23 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.77 -46.27 82.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.388 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . 0.537 HE22 ' NH1' ' B' ' 556' ' ' ARG . 17.8 mt-30 -54.33 -39.22 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 8.4 m -70.23 -41.83 73.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.685 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.37 -51.51 34.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.642 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.615 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.782 0.325 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 3.8 tp -147.75 100.01 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.259 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.64 141.84 43.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' ALA . . . . . 0.408 ' HB1' ' HE2' ' B' ' 511' ' ' HIS . . . -115.95 131.02 57.06 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.536 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -101.54 128.84 47.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.123 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.96 89.61 49.94 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.89 121.35 8.56 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.118 1.879 . . . . 0.0 111.875 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 341' ' ' ARG . 29.7 m -46.13 -32.87 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.19 -10.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' ARG . . . . . 0.471 ' H ' ' C ' ' A' ' 339' ' ' VAL . 4.3 ttt180 -97.52 -56.61 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.15 -59.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.331 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.624 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.865 0.364 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.98 -39.55 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.733 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.0 -47.64 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.457 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.4 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 8.0 mt -54.29 -47.52 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.51 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.51 -47.48 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.07 -41.0 70.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.08 -60.6 3.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 511' ' ' HIS . . . . . 0.408 ' HE2' ' HB1' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -46.37 -39.56 10.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -63.97 -51.6 63.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -58.39 -23.87 58.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.1 mt -86.75 -49.08 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 11.0 mtt -47.75 -21.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 17.1 p -95.82 -36.69 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.487 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.3 mp -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 518' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' B' ' 520' ' ' ARG . 10.6 tpp180 -132.85 9.83 4.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.92 89.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.55 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 520' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' B' ' 518' ' ' ARG . 0.5 OUTLIER -75.04 -38.18 61.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.717 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.3 -53.78 45.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.707 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.24 -30.41 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 11.3 tp -57.54 -41.38 80.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.781 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.75 -30.93 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -77.54 -35.17 53.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.466 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.28 -48.42 88.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.583 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 26.3 t -42.28 -41.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.43 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.15 -49.64 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -27.96 17.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.503 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 4.1 mm -78.09 -52.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -28.91 9.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.286 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.88 -54.14 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.6 t -72.89 -0.12 12.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.31 27.53 1.2 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -113.84 97.27 6.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 0.0 110.781 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -172.0 -175.42 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 537' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -140.86 101.79 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.27 124.79 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.684 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -83.27 156.33 23.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.541 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -28.88 66.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.723 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 60.6 p -132.45 24.32 4.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 542' ' ' THR . . . . . 0.448 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.22 167.46 16.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.2 121.0 22.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 544' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.8 OUTLIER -140.85 160.7 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 -179.643 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -151.8 137.88 18.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.567 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 2.2 t0 -82.04 138.54 34.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 547' ' ' LEU . . . . . 0.484 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 3.8 mm? -79.06 -36.01 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 548' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 8.5 t -77.38 11.35 2.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 549' ' ' SER . . . . . 0.403 ' H ' ' C ' ' B' ' 547' ' ' LEU . 2.3 m -108.58 -28.71 9.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.04 143.06 52.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -78.95 -169.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.472 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -35.13 68.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.704 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 553' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' B' ' 554' ' ' THR . 0.4 OUTLIER -54.7 -57.56 11.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 554' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' B' ' 553' ' ' THR . 0.0 OUTLIER -61.25 -46.9 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.81 -42.05 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.926 0.393 . . . . 0.0 110.588 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 556' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' B' ' 556' ' ' ARG . 0.0 OUTLIER -64.32 -44.02 92.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -63.6 -40.36 96.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.7 -43.83 92.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.421 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 1.8 t -65.32 -42.58 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.32 -47.59 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.868 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.16 57.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.469 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -80.11 -153.32 8.52 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -159.32 121.72 1.07 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -152.2 61.58 4.12 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 120.831 0.348 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -72.42 151.01 53.13 Favored 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.814 2.343 . . . . 0.0 112.203 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.47 ' H ' ' HG ' ' A' ' 332' ' ' SER . 0.0 OUTLIER -96.65 119.11 34.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.273 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.58 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.419 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 45.7 mt -125.3 140.25 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.561 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.606 ' CB ' ' HE2' ' B' ' 511' ' ' HIS . . . -118.87 129.56 55.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -106.13 126.74 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 29.0 mt -131.27 92.88 31.26 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.132 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -46.9 121.05 4.61 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.354 2.036 . . . . 0.0 112.158 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 34.0 m -47.35 -27.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.04 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -97.61 -51.69 4.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.1 mt -78.2 -59.09 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.2 mm? -68.25 -44.9 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . 0.423 ' O ' ' OD1' ' A' ' 345' ' ' ASP . . . 74.06 44.99 27.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 344' ' ' GLY . 2.7 m-20 -155.65 74.66 5.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.557 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.84 -73.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.75 2.3 . . . . 0.0 112.194 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -136.96 32.91 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.672 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 39.45 -143.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.511 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.484 179.764 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.85 -16.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -62.05 -15.07 41.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -41.96 -55.02 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -51.0 -60.67 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.588 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.57 -35.98 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -48.89 77.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.35 -49.52 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 7.1 mt -50.56 -47.17 57.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.75 -49.95 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.53 -41.73 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.16 -61.56 2.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.522 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 511' ' ' HIS . . . . . 0.606 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 0.3 OUTLIER -53.65 -40.74 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -56.71 -49.71 74.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.627 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.74 -38.62 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.7 tpt -57.42 -10.77 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 3.2 p -100.06 -25.34 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.95 162.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -131.52 6.76 4.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 519' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' B' ' 519' ' ' GLU . 8.7 mp0 -85.29 111.81 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -74.99 -38.84 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.675 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -55.1 28.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.3 mt -54.35 -32.77 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -41.62 97.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.737 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -59.71 -45.4 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' B' ' 525' ' ' GLN . 0.6 OUTLIER -58.96 -45.88 89.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 110.527 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 48.3 mt -55.19 -50.2 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.374 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 61.4 t -45.93 -47.06 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.519 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -58.64 -39.69 81.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -39.63 79.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 9.5 mm -67.13 -35.71 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.416 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.51 -27.88 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.569 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.58 -44.33 87.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.8 t -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.76 27.78 1.48 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.53 100.84 6.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.747 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -175.07 -177.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.727 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 537' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' B' ' 544' ' ' ASP . 2.0 t60 -137.23 101.31 4.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.61 127.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.5 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -88.16 153.66 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.441 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -65.09 -10.5 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.6 13.55 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.6 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' THR . . . . . 0.5 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.3 167.01 12.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -131.33 120.08 22.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -139.5 152.72 47.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -151.4 146.32 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.643 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . 0.446 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.32 140.24 31.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.95 -37.66 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' B' ' 548' ' ' CYS . 48.9 t -77.44 6.75 6.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 36.4 p -104.48 -27.94 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 39.3 mt -57.98 164.51 2.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' B' ' 551' ' ' ASP . 0.4 OUTLIER -98.17 168.89 9.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -40.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.356 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 10.2 m -53.87 -55.74 24.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -60.04 4.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.725 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 58.7 t -48.22 -39.98 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -44.83 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -36.55 83.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.426 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.35 -43.17 98.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -60.61 -40.3 91.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -32.34 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.6 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.08 -50.74 72.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.24 -42.57 99.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 564' ' ' THR . 12.5 mm-40 -70.47 -35.06 73.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.718 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 564' ' ' THR . . . . . 0.437 ' C ' ' O ' ' B' ' 563' ' ' GLU . 4.6 t 32.22 41.82 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 46.8 t -99.72 90.72 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.602 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -101.22 -98.5 2.34 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 567' ' ' THR . . . . . 0.433 ' C ' ' HG ' ' B' ' 568' ' ' SER . 15.0 m -89.91 135.85 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.46 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 568' ' ' SER . . . . . 0.433 ' HG ' ' C ' ' B' ' 567' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.645 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -104.69 -163.58 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 91.74 -49.05 2.82 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . 106.26 -158.46 15.48 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 40.9 mtm180 -104.81 155.62 37.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.4 151.01 80.92 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.714 2.276 . . . . 0.0 112.006 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p -134.88 145.86 48.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.0 tp -151.98 100.09 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.35 141.79 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.532 ' CB ' ' HE2' ' B' ' 511' ' ' HIS . . . -118.96 130.88 55.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -106.77 123.78 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 23.9 mt -125.87 89.87 51.52 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.219 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -46.98 123.26 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.281 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 341' ' ' ARG . 1.2 m -42.25 -37.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.571 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -50.46 -11.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 339' ' ' VAL . 32.3 ttm180 -97.47 -55.93 2.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.1 mt -74.6 -55.34 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.571 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.0 mm? -68.74 -18.24 64.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -86.8 119.2 5.12 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -135.5 72.68 64.04 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.434 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.57 167.92 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.818 2.346 . . . . 0.0 112.192 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -155.69 44.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.49 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 42.37 -144.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.544 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 499' ' ' MET . . . . . 0.449 ' H2 ' ' H ' ' B' ' 500' ' ' ASP . 14.5 mmt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.449 ' H ' ' H2 ' ' B' ' 499' ' ' MET . 18.7 t0 -155.67 70.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.483 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -103.25 -41.36 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.557 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.98 -58.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -47.33 -59.59 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.661 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.51 -48.54 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.631 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -46.82 66.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 506' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 559' ' ' GLN . 3.0 mm-40 -59.02 -50.95 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 10.0 mt -54.31 -44.44 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 39.6 t -64.56 -49.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.476 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.77 -44.23 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.35 -59.97 4.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 511' ' ' HIS . . . . . 0.532 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 0.5 OUTLIER -50.26 -37.87 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -50.98 71.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -63.27 -34.45 77.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -44.11 97.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 27.0 mtp -58.83 -12.74 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.1 m -95.04 -33.64 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.47 144.75 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 19.69 8.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.615 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -100.07 101.35 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -32.64 74.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.513 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -55.5 -40.17 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.23 -33.23 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.24 -41.7 96.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.574 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -55.73 -50.9 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.4 -45.13 92.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 31.7 mt -55.84 -53.12 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 36.4 t -41.87 -43.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.34 -42.6 96.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -36.41 69.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 11.4 mm -71.75 -38.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.48 -26.92 65.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 1.9 t -72.46 1.9 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 45.23 27.0 1.57 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.19 97.17 5.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.662 0.267 . . . . 0.0 110.722 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -174.02 -176.72 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 537' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.0 OUTLIER -139.5 101.14 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.501 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.87 136.28 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.46 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -97.11 156.63 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.435 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -58.48 -23.63 58.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 1.2 p -139.66 25.56 2.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.33 165.64 15.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.577 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -134.98 115.18 13.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' B' ' 537' ' ' HIS . 6.8 p30 -136.9 149.25 47.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.479 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -142.54 144.51 32.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.01 138.95 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.39 -35.56 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.357 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 11.19 3.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' SER . . . . . 0.411 ' CB ' ' OD2' ' B' ' 546' ' ' ASP . 28.3 m -106.77 -25.99 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 44.1 mt -71.43 143.68 50.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -83.88 -177.81 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 552' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' B' ' 556' ' ' ARG . 0.5 OUTLIER -63.8 -20.69 65.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 94.7 m -62.95 -56.88 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.516 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -56.72 8.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.736 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 94.9 t -43.09 -37.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.701 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' B' ' 552' ' ' LYS . 15.6 mmm180 -68.98 -48.34 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -60.87 -34.17 74.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.16 -44.56 72.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' B' ' 506' ' ' GLU . 24.0 mt-30 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 560' ' ' SER . . . . . 0.489 ' O ' ' N ' ' B' ' 564' ' ' THR . 64.7 m -70.43 -43.72 69.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.2 -45.73 34.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.33 -41.0 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.357 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -79.37 -0.69 33.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.731 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 564' ' ' THR . . . . . 0.489 ' N ' ' O ' ' B' ' 560' ' ' SER . 10.1 t -40.09 126.72 2.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.368 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 565' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' B' ' 565' ' ' SER . 7.4 p -168.07 48.2 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.498 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 160.76 139.98 2.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.26 -178.1 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.739 0.304 . . . . 0.0 110.547 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.603 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -58.64 162.66 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 95.96 -153.72 20.66 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -143.59 145.09 14.54 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -137.21 61.76 34.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.649 0.261 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -71.5 171.93 15.27 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.569 2.179 . . . . 0.0 112.121 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 m -136.94 151.44 49.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.658 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.8 tp -137.78 102.96 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.439 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 2.7 mp -129.24 140.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.776 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.49 ' CB ' ' HE2' ' B' ' 511' ' ' HIS . . . -116.32 127.27 54.55 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.709 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 121.22 43.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.66 89.8 24.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.878 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -49.22 125.97 14.57 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.255 1.97 . . . . 0.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 341' ' ' ARG . 11.3 m -43.9 -38.23 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -49.99 -10.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 339' ' ' VAL . 64.5 ttt180 -97.34 -53.2 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.752 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.2 mt -77.65 -58.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.527 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.0 mm? -67.1 -17.57 64.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -70.13 121.56 10.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ASP . . . . . 0.403 ' C ' ' H ' ' A' ' 347' ' ' GLU . 2.6 p30 -155.67 62.74 3.32 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -75.34 17.78 0.61 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.695 2.263 . . . . 0.0 112.128 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 345' ' ' ASP . 0.5 OUTLIER -144.7 65.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -53.13 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.541 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.501 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 20.4 mtm . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.52 98.57 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -52.33 -40.74 62.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.528 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -41.54 -64.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.48 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -46.02 -51.88 12.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.97 -34.4 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.514 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -46.63 89.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -59.24 -54.22 49.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 5.6 mt -48.69 -51.75 26.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.47 -48.48 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.3 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -40.81 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.85 -61.52 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 511' ' ' HIS . . . . . 0.49 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 1.3 t60 -49.09 -35.3 15.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.334 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -56.97 15.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.05 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 513' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' B' ' 516' ' ' THR . 51.3 mtt180 -64.01 -25.02 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.727 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -43.05 88.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 28.7 mtt -54.73 -28.61 49.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 516' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 513' ' ' ARG . 7.2 p -88.45 5.3 43.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.531 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.7 tp -82.32 120.85 25.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -95.19 -28.06 15.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.45 101.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -72.29 -31.17 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.57 -47.31 84.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.7 mt -60.2 -32.77 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.08 -39.84 91.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -60.52 -44.22 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -61.58 -46.07 91.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 51.6 mt -56.5 -51.84 60.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 48.6 t -43.27 -45.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.464 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 529' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 532' ' ' GLU . 5.9 tp -52.28 -61.56 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 109.904 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 8.5 mm -45.99 -40.75 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.459 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 531' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' B' ' 536' ' ' PHE . 6.9 mm-40 -72.3 -27.51 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.186 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' B' ' 529' ' ' LEU . 26.9 tt0 -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.3 t -72.9 3.05 5.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.438 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.78 25.7 5.09 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 535' ' ' HIS . . . . . 0.403 ' ND1' ' OG ' ' B' ' 549' ' ' SER . 0.5 OUTLIER -123.47 101.03 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.68 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 536' ' ' PHE . . . . . 0.5 ' CZ ' ' OE1' ' B' ' 531' ' ' GLU . 51.4 p90 -174.1 -176.31 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.711 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.65 101.25 4.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.52 119.15 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.652 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.476 ' N ' ' O ' ' B' ' 542' ' ' THR . 1.1 m -81.63 153.85 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.83 -8.13 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 81.1 p -140.19 11.82 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' THR . . . . . 0.476 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.31 168.17 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -133.08 117.83 18.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -139.02 161.59 37.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' B' ' 545' ' ' PHE . 6.3 p90 -152.31 142.99 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.677 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.52 111.25 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.29 -32.29 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.432 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.0 OUTLIER -71.59 -11.57 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.521 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' B' ' 549' ' ' SER . 16.3 t -100.65 25.74 7.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.45 142.13 34.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.368 . . . . 0.0 110.629 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 551' ' ' ASP . 0.7 OUTLIER -83.48 169.25 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.71 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 552' ' ' LYS . . . . . 0.476 ' H ' ' CD ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -55.86 -41.92 75.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.8 m -55.73 -56.83 15.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 554' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 551' ' ' ASP . 9.4 p -51.74 -58.3 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.3 t -51.07 -44.47 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.638 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -44.77 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.534 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.368 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.78 -40.55 84.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.349 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -43.16 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.502 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -49.0 -46.67 44.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.636 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.92 -45.17 78.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.724 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.39 -68.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 15.1 t -79.25 146.45 33.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.416 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 565' ' ' SER . . . . . 0.508 ' O ' ' N ' ' B' ' 567' ' ' THR . 0.0 OUTLIER -126.47 -10.15 6.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.513 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 44.59 -90.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 567' ' ' THR . . . . . 0.508 ' N ' ' O ' ' B' ' 565' ' ' SER . 0.0 OUTLIER 52.89 103.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.581 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.495 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -79.84 -62.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.501 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -174.57 109.04 0.28 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.75 78.33 0.26 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -151.46 68.63 7.84 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.817 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.28 170.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.784 2.323 . . . . 0.0 111.854 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 332' ' ' SER . 53.8 p -103.46 85.28 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.399 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.55 102.42 5.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.98 140.47 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.615 ' CB ' ' HE2' ' B' ' 511' ' ' HIS . . . -109.17 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -113.87 104.76 12.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.215 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.32 129.22 24.17 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.73 122.38 7.74 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.845 1.697 . . . . 0.0 112.219 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 5.9 m -49.36 -27.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -97.68 -52.34 3.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.32 -58.26 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.539 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.1 mm? -68.56 -30.48 69.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.441 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 80.36 -121.17 5.38 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -163.17 68.92 1.84 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.779 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.21 152.5 3.55 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.72 2.28 . . . . 0.0 112.036 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -145.83 45.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.508 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 348' ' ' GLU . 1.4 mp0 -40.78 128.04 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.637 -179.851 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 40.6 mtm . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 48.38 84.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 501' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 504' ' ' LEU . 5.9 tttp -144.52 -42.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -39.92 -40.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.61 -45.02 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.438 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 504' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 501' ' ' LYS . 4.5 mp -71.75 -45.3 62.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -49.32 -45.52 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.95 -51.26 70.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.87 -50.32 61.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.04 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.636 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.03 -53.83 52.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.623 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 511' ' ' HIS . . . . . 0.615 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 0.1 OUTLIER -61.19 -40.17 92.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.69 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -54.36 -42.57 70.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -66.36 -43.91 84.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 514' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' B' ' 517' ' ' LEU . 6.4 mp -49.56 -44.78 47.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.433 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.5 mmt -43.43 -23.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 516' ' ' THR . . . . . 0.425 ' N ' ' O ' ' B' ' 514' ' ' LEU . 24.3 m -93.0 -28.58 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.741 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 517' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 514' ' ' LEU . 0.9 OUTLIER -61.47 130.6 46.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.484 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 -30.09 9.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.7 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -68.92 -24.76 64.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -61.51 -59.9 4.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.364 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 69.7 mt -50.91 -33.74 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.23 -46.34 65.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 0.0 110.701 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -59.62 -45.08 93.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.119 0.485 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.84 -55.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 16.2 t -43.62 -42.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.416 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -42.9 91.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.186 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.07 -36.63 77.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 7.8 mm -69.49 -34.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.926 0.393 . . . . 0.0 110.361 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -73.58 -30.38 62.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.603 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -44.91 96.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.2 t -73.65 4.06 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.623 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.17 26.52 4.73 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.03 97.9 5.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.913 0.387 . . . . 0.0 110.778 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -174.44 -179.23 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.785 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.1 101.83 4.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.2 tt -88.99 119.08 35.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.439 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -86.68 154.95 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.447 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -54.44 -33.33 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.701 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 6.9 p -135.82 29.26 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.628 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.46 165.74 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -136.63 108.05 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -128.64 157.73 40.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 545' ' ' PHE . 11.6 p90 -160.99 151.53 18.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.64 140.62 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.987 0.422 . . . . 0.0 110.853 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . 0.531 ' C ' ' H ' ' B' ' 549' ' ' SER . 3.8 mm? -76.25 -41.28 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 1.7 t -70.47 14.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' SER . . . . . 0.531 ' H ' ' C ' ' B' ' 547' ' ' LEU . 33.5 m -113.02 -28.02 7.85 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 13.8 mt -70.67 120.5 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.74 152.23 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.553 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 552' ' ' LYS . . . . . 0.502 ' H ' ' CD ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -45.17 -37.62 4.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 553' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' B' ' 554' ' ' THR . 1.0 OUTLIER -48.72 -56.69 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 554' ' ' THR . . . . . 0.463 ' N ' ' OG1' ' B' ' 553' ' ' THR . 7.3 m -60.06 -52.28 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.488 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 55.6 t -46.18 -44.57 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.471 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -58.8 -48.7 80.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -56.21 -49.05 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 80.3 mt -55.43 -43.54 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -55.63 -38.25 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 560' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 564' ' ' THR . 0.6 OUTLIER -71.89 -41.53 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -47.76 -51.41 22.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.72 -44.16 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -78.04 -79.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.668 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 564' ' ' THR . . . . . 0.429 ' O ' ' O ' ' B' ' 560' ' ' SER . 0.1 OUTLIER -104.58 159.01 16.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.582 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.41 132.22 52.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.56 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -161.95 140.23 6.46 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 72.3 p -132.22 48.77 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.631 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.513 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -146.74 103.7 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 103.22 75.15 1.05 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.43 -118.1 1.67 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -152.79 69.22 7.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.53 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.51 155.25 3.65 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.774 2.316 . . . . 0.0 112.175 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.85 146.68 22.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.9 tp -141.52 102.43 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.64 141.28 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' B' ' 544' ' ' ASP . . . -122.14 131.31 53.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -112.03 133.03 54.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 4.8 mt -138.4 95.14 10.39 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.33 121.5 4.66 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.38 2.054 . . . . 0.0 112.372 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.49 ' C ' ' H ' ' A' ' 341' ' ' ARG . 29.2 m -46.73 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -51.42 -11.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . 0.49 ' H ' ' C ' ' A' ' 339' ' ' VAL . 1.2 ttt180 -97.06 -56.97 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.1 mt -71.72 -58.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 343' ' ' LEU . 4.3 mm? -73.37 -36.84 66.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -95.87 -178.16 36.4 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -171.89 64.91 0.38 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -45.81 152.23 1.12 Allowed 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.77 2.313 . . . . 0.0 112.069 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -177.13 49.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.616 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.7 -10.14 33.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' B' ' 500' ' ' ASP . 0.0 OUTLIER -43.82 160.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.507 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 501' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' B' ' 504' ' ' LEU . 7.0 tptp -170.65 150.7 3.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.563 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 502' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' B' ' 501' ' ' LYS . . . -39.63 -30.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.469 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 503' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' B' ' 501' ' ' LYS . 8.0 t80 -83.13 -41.08 18.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.372 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 504' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' B' ' 501' ' ' LYS . 2.8 mt -76.13 -48.4 20.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.494 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.73 -37.9 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.348 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.37 -48.16 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.22 -40.4 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 31.1 t -66.02 -44.44 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.345 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.58 -37.78 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.545 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.63 -56.97 14.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 511' ' ' HIS . . . . . 0.418 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -53.68 -42.06 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -57.03 -56.6 19.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 513' ' ' ARG . . . . . 0.426 ' CG ' HH11 ' B' ' 513' ' ' ARG . 5.2 mtt85 -57.51 -40.97 79.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 514' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' B' ' 516' ' ' THR . 0.6 OUTLIER -57.17 -44.86 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.524 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.57 -3.84 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.486 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 516' ' ' THR . . . . . 0.437 ' H ' ' C ' ' B' ' 514' ' ' LEU . 0.2 OUTLIER -101.12 -21.26 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.526 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.13 147.96 51.58 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -38.16 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.537 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.12 112.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -73.86 -36.92 64.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -54.1 -34.5 60.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 1.6 mm -69.54 -35.07 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.38 -38.72 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -60.43 -51.8 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -54.61 -43.08 71.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.572 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 43.0 mt -58.1 -50.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.37 -41.53 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.19 -42.68 99.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -36.57 62.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 12.2 mm -70.51 -43.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.289 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.11 -26.09 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.71 -50.41 69.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.5 t -72.14 3.42 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.435 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 43.45 26.12 0.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -116.89 97.71 6.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -172.51 -176.34 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 537' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' B' ' 544' ' ' ASP . 1.2 t60 -137.83 101.23 4.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.13 127.41 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.946 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.486 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -81.77 156.07 25.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.334 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.7 -19.8 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 10.2 p -138.99 22.72 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' THR . . . . . 0.486 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.78 167.26 13.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -128.19 122.14 31.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.767 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 545' ' ' PHE . 6.4 t0 -138.39 151.58 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' PHE . . . . . 0.483 ' N ' ' OD1' ' B' ' 544' ' ' ASP . 9.1 p90 -150.29 141.59 23.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.374 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 8.9 t0 -84.12 139.97 32.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . 0.516 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 4.0 mm? -79.95 -36.25 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.75 9.36 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.699 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 77.9 p -107.69 -25.26 11.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.413 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.46 123.92 20.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 553' ' ' THR . 1.8 m-20 -64.54 152.95 40.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.262 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -18.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.693 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 553' ' ' THR . . . . . 0.528 ' N ' ' O ' ' B' ' 551' ' ' ASP . 5.9 m -65.29 -56.25 13.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.439 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.45 4.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.433 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 60.6 t -41.56 -44.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.657 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.876 0.369 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -61.44 -49.29 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 0.0 110.519 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.01 -41.72 71.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -57.43 -41.35 80.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.196 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 560' ' ' SER . . . . . 0.587 ' HG ' ' N ' ' B' ' 561' ' ' TYR . 64.8 p -69.23 -40.28 78.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 561' ' ' TYR . . . . . 0.587 ' N ' ' HG ' ' B' ' 560' ' ' SER . 1.7 m-85 -48.97 -49.36 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.18 -44.03 97.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.45 -72.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.28 156.33 38.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.462 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 13.9 p -146.32 -169.03 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -90.23 -49.36 3.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 2.6 t -163.56 145.39 9.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.815 0.341 . . . . 0.0 110.548 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.608 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' THR . . . . . 0.609 ' HG1' ' N ' ' A' ' 327' ' ' GLN . 5.2 p . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.609 ' N ' ' HG1' ' A' ' 326' ' ' THR . 2.0 mt-30 45.96 62.49 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.472 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -96.01 -179.95 35.57 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.82 100.39 2.47 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -62.96 155.33 72.84 Favored Pre-proline 0 C--N 1.33 -0.244 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.679 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -68.32 133.44 28.37 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.612 2.208 . . . . 0.0 112.044 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p -87.22 91.28 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.412 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 1.4 tp -91.05 101.23 13.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.407 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 44.4 mt -128.06 140.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.499 ' CB ' ' HE2' ' B' ' 511' ' ' HIS . . . -124.13 133.23 53.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.672 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -101.8 141.62 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.243 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -138.36 92.62 11.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.37 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.37 121.41 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.131 1.887 . . . . 0.0 112.298 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 341' ' ' ARG . 15.5 m -47.65 -35.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.404 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.55 -8.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . 0.526 ' H ' ' C ' ' A' ' 339' ' ' VAL . 57.7 ttt180 -97.04 -56.43 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 1.8 mt -77.99 -57.77 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 3.9 mm? -65.34 -20.63 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.416 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -63.9 172.03 16.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 41.57 61.18 8.15 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -73.74 -21.58 18.78 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.746 2.298 . . . . 0.0 112.078 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -170.71 58.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.534 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.34 167.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.596 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 16.2 mmt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.76 -37.02 12.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.423 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -44.89 -56.95 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.499 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.5 -34.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.672 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -61.11 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.732 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.59 -45.67 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.01 -44.37 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.543 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.24 -52.29 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.47 -50.06 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.668 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 52.1 t -55.86 -46.31 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.407 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.11 -42.05 97.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -58.32 7.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 511' ' ' HIS . . . . . 0.499 ' HE2' ' CB ' ' A' ' 335' ' ' ALA . 0.1 OUTLIER -58.15 -49.17 77.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.63 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -47.4 21.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.737 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -73.21 -45.94 53.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.71 -25.05 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.716 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 14.0 ttm -73.83 -25.54 60.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -84.99 -20.02 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.83 161.71 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -131.45 9.75 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -85.37 99.41 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -72.13 -31.49 66.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.41 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.58 -32.96 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.27 -37.4 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -62.74 -47.04 85.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -40.79 85.77 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 35.7 mt -58.1 -50.29 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 85.2 t -42.13 -45.61 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 528' ' ' ASN . . . . . 0.547 ' ND2' ' N ' ' B' ' 528' ' ' ASN . 0.7 OUTLIER -62.21 -40.96 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.162 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -35.21 70.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 10.3 mm -71.09 -36.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.933 0.397 . . . . 0.0 110.412 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -70.4 -31.2 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.87 -48.3 81.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.5 t -72.61 3.82 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.92 29.79 0.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.4 96.63 5.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.754 0.311 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -173.91 -173.63 0.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -143.89 100.86 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.88 129.35 44.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.681 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.419 ' N ' ' O ' ' B' ' 542' ' ' THR . 24.2 m -96.3 153.06 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.85 -0.61 5.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.95 4.49 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.572 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' THR . . . . . 0.419 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.96 168.13 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.422 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -126.9 112.35 15.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.26 158.6 33.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -156.38 144.46 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.434 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -87.27 138.13 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.88 -34.28 39.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.05 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.06 0.96 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 59.2 p -100.7 -19.49 16.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.258 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 551' ' ' ASP . 21.6 mt -73.63 115.26 12.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.534 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' B' ' 550' ' ' LEU . 0.5 OUTLIER -53.81 -168.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -33.47 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.9 m -53.48 -57.04 12.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -57.6 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.726 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 96.0 t -44.89 -41.35 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -67.28 -44.3 79.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.596 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -35.5 72.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.49 -50.02 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.464 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -34.48 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -46.17 46.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.56 -46.18 27.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.439 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.4 mt -63.49 -33.81 76.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -81.19 -83.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.72 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 11.0 t -81.21 175.44 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.62 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 50.7 m 46.31 76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.695 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 166.32 55.9 0.03 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 10.0 t -103.99 130.51 51.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.724 0.297 . . . . 0.0 110.613 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.611 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 42.41 -108.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 92.09 130.06 4.97 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . 172.57 -96.0 0.11 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -144.19 57.0 4.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.724 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.2 157.29 57.65 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.772 2.315 . . . . 0.0 112.056 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 t -101.61 160.06 14.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.66 100.54 2.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.431 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 51.8 mt -133.19 141.89 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.062 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -120.36 128.92 53.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.488 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 46.2 mtm-85 -96.18 131.69 42.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.462 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.52 89.82 45.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.055 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.78 120.88 7.14 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.216 1.944 . . . . 0.0 112.255 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.403 ' C ' ' H ' ' A' ' 341' ' ' ARG . 28.7 m -51.58 -29.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.1 -13.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' A' ' 339' ' ' VAL . 83.4 mtt180 -97.59 -57.37 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 3.1 mt -68.87 -58.93 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.4 mm? -67.51 -51.26 53.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 83.0 -116.34 4.19 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 345' ' ' ASP . 1.1 p-10 -167.19 74.26 1.03 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.24 118.5 4.65 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.84 2.36 . . . . 0.0 112.077 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.63 50.57 0.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.641 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -4.05 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.686 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 13.6 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 500' ' ' ASP . 0.0 OUTLIER -149.42 -51.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -139.17 -34.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.656 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.05 -60.27 1.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.547 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -46.2 -50.51 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.486 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.94 -40.1 96.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.434 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -44.79 95.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.5 -48.87 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.678 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.45 -43.24 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.12 -43.76 98.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.407 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.83 -49.63 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 511' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -47.01 71.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 512' ' ' ARG . . . . . 0.46 HH11 ' CG ' ' B' ' 512' ' ' ARG . 0.7 OUTLIER -56.24 -48.36 76.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -68.02 -42.13 81.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 514' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' B' ' 516' ' ' THR . 0.8 OUTLIER -61.07 -44.93 96.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 7.3 mtt -54.23 -9.02 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.533 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 516' ' ' THR . . . . . 0.482 ' H ' ' C ' ' B' ' 514' ' ' LEU . 3.5 m -99.24 -20.62 16.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 138.69 53.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.485 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -121.81 -31.22 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.438 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -45.77 118.26 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -74.61 -43.25 56.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -44.94 -57.54 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.9 -33.42 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.528 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 3.1 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.704 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -58.89 -48.47 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.386 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.3 -42.88 82.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 49.1 mt -57.24 -50.74 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 527' ' ' VAL . . . . . 0.434 ' O ' ' OE2' ' B' ' 531' ' ' GLU . 57.8 t -43.34 -45.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.477 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.22 -47.01 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -38.65 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.459 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 36.7 mm -70.22 -47.67 65.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.153 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 531' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 527' ' ' VAL . 0.3 OUTLIER -59.24 -23.28 62.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.98 -51.38 55.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 1.8 t -73.21 3.57 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.77 29.24 0.49 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -116.47 99.0 6.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.704 0.288 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -174.67 -177.27 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.627 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.34 101.49 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.421 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.19 124.57 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.79 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.434 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.3 OUTLIER -83.17 156.2 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.5 -24.88 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 11.2 p -134.6 23.79 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' THR . . . . . 0.434 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.22 168.74 11.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -132.85 114.56 14.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -132.65 154.72 49.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.783 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -142.9 140.43 31.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.349 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.81 135.74 34.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' B' ' 549' ' ' SER . 3.8 mm? -76.18 -39.5 54.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 7.26 2.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' SER . . . . . 0.423 ' H ' ' C ' ' B' ' 547' ' ' LEU . 26.6 t -107.38 -22.97 12.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.571 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.5 mt -73.45 124.17 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 553' ' ' THR . 0.0 OUTLIER -64.99 151.82 44.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.907 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 552' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -42.5 -17.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.753 178.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 553' ' ' THR . . . . . 0.541 ' N ' ' O ' ' B' ' 551' ' ' ASP . 6.4 m -67.22 -57.72 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.562 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -43.97 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.312 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 65.5 t -50.25 -47.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -60.82 -43.83 97.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.14 -42.27 99.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.598 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.27 -39.29 82.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.751 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.05 -37.22 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.422 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 53.6 p -71.43 -38.4 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.583 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.14 -45.65 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.6 -45.21 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.624 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -47.22 -72.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.39 140.5 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 49.3 m -147.3 -8.63 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 69.2 139.54 0.1 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 12.7 t -101.88 146.3 28.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.599 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.605 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' THR . . . . . 0.422 ' H1 ' ' HG1' ' A' ' 326' ' ' THR . 4.8 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 65.78 52.44 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.55 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -140.37 -87.31 0.13 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -72.26 -172.09 18.26 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.06 160.17 55.76 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 0.0 110.714 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.95 173.72 8.86 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.785 2.323 . . . . 0.0 111.766 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 65.8 p -128.22 157.77 39.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.2 tp -151.59 100.41 2.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.446 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.5 141.89 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -117.28 126.91 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.27 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 336' ' ' ARG . 28.3 ptt-85 -109.52 123.85 50.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.66 89.87 38.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.2 121.55 4.6 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.491 2.127 . . . . 0.0 112.415 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 341' ' ' ARG . 35.0 m -44.55 -39.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -45.67 -16.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 339' ' ' VAL . 1.1 ttt-85 -93.08 -57.46 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ILE . . . . . 0.425 ' C ' ' H ' ' A' ' 344' ' ' GLY . 4.0 mt -70.18 -58.61 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.305 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.2 mm? -70.83 4.14 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.528 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 342' ' ' ILE . . . -49.32 123.37 11.77 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 345' ' ' ASP . 10.1 p30 -170.09 63.19 0.45 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.539 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -77.08 116.15 4.14 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.758 2.305 . . . . 0.0 112.111 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.402 ' C ' ' H ' ' A' ' 349' ' ' GLU . 53.8 mt-10 -142.05 42.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.625 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.87 -3.56 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 347' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.565 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 499' ' ' MET . . . . . 0.421 ' O ' ' O ' ' B' ' 500' ' ' ASP . 3.0 mtp . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.542 ' C ' ' H ' ' B' ' 502' ' ' ALA . 13.1 t70 58.55 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 25.2 mttm 60.88 -1.6 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.79 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 502' ' ' ALA . . . . . 0.542 ' H ' ' C ' ' B' ' 500' ' ' ASP . . . -54.87 -46.98 74.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.638 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -53.67 -51.03 64.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.648 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.97 -39.35 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -60.6 -46.24 90.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.15 -48.57 81.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 7.3 mt -54.87 -47.37 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 39.6 t -64.96 -47.33 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.489 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.31 -61.66 2.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.442 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 511' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -45.21 37.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -57.41 -47.49 81.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.662 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -70.27 -30.13 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.39 -38.16 77.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 3.6 mmt -60.91 -13.83 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 4.2 m -93.01 -34.23 13.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.63 153.44 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.618 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -136.94 8.82 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.31 107.51 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.545 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -55.47 26.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.95 -62.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 53.0 mt -50.43 -33.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.5 -47.54 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.66 -42.36 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.7 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.2 -45.32 92.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.255 0.55 . . . . 0.0 110.474 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.97 -53.96 28.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 39.3 t -42.21 -50.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.481 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 528' ' ' ASN . . . . . 0.419 HD21 ' C ' ' B' ' 528' ' ' ASN . 0.2 OUTLIER -54.72 -41.52 70.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.205 179.68 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.53 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 6.9 mm -67.65 -24.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.391 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.31 -31.88 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -64.91 -37.37 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.2 t -72.69 1.61 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.47 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 42.01 29.48 0.59 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 101.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.784 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -175.31 -174.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.34 101.59 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -96.68 124.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.452 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.1 OUTLIER -90.58 150.76 21.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.385 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -2.24 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.752 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.17 6.64 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' THR . . . . . 0.452 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.19 168.65 11.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -135.85 117.15 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.59 163.32 32.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' PHE . . . . . 0.495 ' N ' ' CD1' ' B' ' 545' ' ' PHE . 8.1 p90 -148.47 147.46 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.399 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.14 116.88 28.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.25 -35.36 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' B' ' 549' ' ' SER . 0.5 OUTLIER -67.37 -39.72 85.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' B' ' 548' ' ' CYS . 15.1 m -72.92 -22.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.36 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.07 147.02 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 551' ' ' ASP . 0.1 OUTLIER -85.15 -175.28 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -34.0 51.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 553' ' ' THR . . . . . 0.53 ' CG2' ' H ' ' B' ' 554' ' ' THR . 7.1 t -47.86 -56.68 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.536 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 554' ' ' THR . . . . . 0.53 ' H ' ' CG2' ' B' ' 553' ' ' THR . 4.5 m -61.91 -51.33 68.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 85.0 t -45.12 -44.21 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -62.9 -45.87 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.79 -38.07 89.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.96 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -58.46 -36.7 74.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.09 -41.51 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.31 -38.76 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.643 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' B' ' 564' ' ' THR . 3.5 mt -73.59 -42.96 60.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.29 -6.51 1.52 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.584 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 564' ' ' THR . . . . . 0.426 ' H ' ' C ' ' B' ' 562' ' ' LEU . 10.6 t -48.47 -35.9 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.06 126.37 27.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 63.38 139.93 0.01 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 39.7 p -139.83 45.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 110.473 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 327' ' ' GLN . 13.5 t . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 326' ' ' THR . 8.1 pt20 -44.8 169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.7 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 149.91 54.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.32 -47.55 43.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . 0.637 HH11 ' H ' ' A' ' 330' ' ' ARG . 0.0 OUTLIER -148.57 70.58 10.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 110.605 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.19 161.62 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.916 2.411 . . . . 0.0 111.966 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.2 t -101.53 80.66 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.87 104.43 8.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.348 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 141.22 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -119.57 135.29 54.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.526 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 8.8 ptt-85 -107.26 134.23 50.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.52 89.91 42.54 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -49.71 120.99 6.56 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.312 2.008 . . . . 0.0 111.976 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.532 ' C ' ' H ' ' A' ' 341' ' ' ARG . 0.1 OUTLIER -47.51 -38.12 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.24 -8.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.409 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . 0.532 ' H ' ' C ' ' A' ' 339' ' ' VAL . 23.6 ttp180 -97.49 -57.9 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 5.2 mt -75.28 -58.88 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' LEU . . . . . 0.48 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.2 mm? -68.03 -54.33 19.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 99.8 -103.88 2.75 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -162.12 64.18 1.63 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.675 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -76.06 142.06 24.34 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.762 2.308 . . . . 0.0 112.064 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -138.17 41.35 2.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.502 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.02 -3.28 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 349' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.556 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.35 178.96 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -57.53 -29.64 64.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -41.15 -62.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.572 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -45.68 -45.83 14.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.614 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.02 -38.79 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.551 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.2 -46.5 88.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 10.1 mt -54.96 -51.78 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 26.8 t -58.9 -56.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -53.49 -43.59 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.75 -54.24 47.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 511' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -35.2 77.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.678 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -57.96 -45.06 87.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -69.6 -43.1 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.58 -38.92 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -7.35 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.512 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 6.6 m -99.6 -24.9 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.66 162.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -129.66 7.24 5.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -93.31 103.6 15.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -69.02 -32.79 72.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -53.43 58.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -33.82 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 2.5 mp -66.5 -45.37 79.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.472 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -57.1 -38.45 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -65.04 -43.46 92.31 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 84.2 mt -55.44 -41.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 64.7 t -46.52 -41.03 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.275 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -44.32 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.236 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 36.6 tp -52.81 -39.47 62.42 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.966 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.6 -48.5 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.519 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.43 -27.44 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.32 -52.71 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.7 t -73.44 3.87 5.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 40.24 29.36 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -117.63 99.91 7.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.726 0.298 . . . . 0.0 110.708 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -174.29 -175.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 537' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -137.61 100.86 4.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.264 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.09 133.28 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.459 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -98.0 153.31 18.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.334 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.84 -9.58 30.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.651 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 45.7 p -140.45 13.83 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' THR . . . . . 0.459 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.15 168.55 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.54 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.15 112.52 11.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -129.36 165.99 20.4 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.447 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -163.16 144.44 9.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 0.0 OUTLIER -92.98 141.07 28.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.851 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 547' ' ' LEU . 3.8 mm? -74.81 -38.37 62.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.592 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' CYS . . . . . 0.492 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.3 OUTLIER -73.13 5.41 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 16.5 t -103.34 -28.28 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.42 151.48 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.626 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.88 152.2 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.499 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 552' ' ' LYS . . . . . 0.466 ' H ' ' CD ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -41.06 -43.06 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 81.3 m -47.72 -54.25 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 3.8 m -63.82 -47.99 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.679 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 57.5 t -56.22 -32.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . 0.537 ' NH1' HE22 ' B' ' 559' ' ' GLN . 33.0 mmt-85 -70.37 -45.6 65.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.788 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -61.48 -35.23 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.77 -46.27 82.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.388 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . 0.537 HE22 ' NH1' ' B' ' 556' ' ' ARG . 17.8 mt-30 -54.33 -39.22 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 8.4 m -70.23 -41.83 73.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.685 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.37 -51.51 34.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.642 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.37 -48.48 65.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.615 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' B' ' 563' ' ' GLU . 0.1 OUTLIER -65.6 -50.47 64.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.712 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 67.5 p -71.56 85.07 0.86 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.641 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 23.2 t -146.04 77.77 1.5 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.439 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -71.06 77.38 0.56 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 82.8 p -107.6 91.22 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.543 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.52 -1.44 53.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -166.75 -104.5 0.18 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . 144.08 -125.81 2.56 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.82 61.95 44.58 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.784 0.326 . . . . 0.0 110.729 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -75.01 139.58 24.43 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.643 2.229 . . . . 0.0 112.067 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.23 162.03 13.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 3.8 tp -147.75 100.01 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.259 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.64 141.84 43.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' ALA . . . . . 0.408 ' HB1' ' HE2' ' B' ' 511' ' ' HIS . . . -115.95 131.02 57.06 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.536 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -101.54 128.84 47.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.123 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.96 89.61 49.94 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.89 121.35 8.56 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.118 1.879 . . . . 0.0 111.875 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 341' ' ' ARG . 29.7 m -46.13 -32.87 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.19 -10.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' ARG . . . . . 0.471 ' H ' ' C ' ' A' ' 339' ' ' VAL . 4.3 ttt180 -97.52 -56.61 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.15 -59.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.331 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 343' ' ' LEU . 4.3 mm? -65.45 -36.34 83.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.624 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -89.73 82.04 1.42 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.95 155.37 15.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.55 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.64 128.85 18.78 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.577 2.185 . . . . 0.0 112.175 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -173.58 44.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.3 -165.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.48 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.606 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 499' ' ' MET . . . . . 0.417 ' H3 ' ' H ' ' B' ' 500' ' ' ASP . 2.2 ttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.417 ' H ' ' H3 ' ' B' ' 499' ' ' MET . 0.7 OUTLIER -81.34 42.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.467 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -103.73 -37.19 7.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.88 -45.58 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.808 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -61.55 -49.61 75.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 504' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.98 -39.55 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.733 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.0 -47.64 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.457 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.4 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 507' ' ' LEU . . . . . . . . . . . . . 8.0 mt -54.29 -47.52 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.51 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 508' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.51 -47.48 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.07 -41.0 70.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.08 -60.6 3.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 511' ' ' HIS . . . . . 0.408 ' HE2' ' HB1' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -46.37 -39.56 10.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -63.97 -51.6 63.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -58.39 -23.87 58.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.1 mt -86.75 -49.08 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 11.0 mtt -47.75 -21.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 17.1 p -95.82 -36.69 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.487 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.3 mp -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 518' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' B' ' 520' ' ' ARG . 10.6 tpp180 -132.85 9.83 4.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.92 89.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.55 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 520' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' B' ' 518' ' ' ARG . 0.5 OUTLIER -75.04 -38.18 61.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.717 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.3 -53.78 45.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.707 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.24 -30.41 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 523' ' ' LEU . . . . . . . . . . . . . 11.3 tp -57.54 -41.38 80.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.781 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.75 -30.93 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -77.54 -35.17 53.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.466 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 56.7 mt -62.28 -48.42 88.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.583 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 527' ' ' VAL . . . . . . . . . . . . . 26.3 t -42.28 -41.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.43 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.15 -49.64 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -27.96 17.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.503 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 4.1 mm -78.09 -52.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -28.91 9.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.286 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.88 -54.14 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.6 t -72.89 -0.12 12.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.31 27.53 1.2 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -113.84 97.27 6.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 0.0 110.781 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -172.0 -175.42 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 537' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -140.86 101.79 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.27 124.79 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.684 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -83.27 156.33 23.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.541 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -28.88 66.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.723 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 60.6 p -132.45 24.32 4.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' THR . . . . . 0.448 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.22 167.46 16.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.2 121.0 22.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.8 OUTLIER -140.85 160.7 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 -179.643 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -151.8 137.88 18.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.567 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 2.2 t0 -82.04 138.54 34.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' LEU . . . . . 0.484 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 3.8 mm? -79.06 -36.01 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 8.5 t -77.38 11.35 2.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' SER . . . . . 0.403 ' H ' ' C ' ' B' ' 547' ' ' LEU . 2.3 m -108.58 -28.71 9.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.04 143.06 52.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -78.95 -169.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.472 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -35.13 68.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.704 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 553' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' B' ' 554' ' ' THR . 0.4 OUTLIER -54.7 -57.56 11.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 554' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' B' ' 553' ' ' THR . 0.0 OUTLIER -61.25 -46.9 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.81 -42.05 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.926 0.393 . . . . 0.0 110.588 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 556' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' B' ' 556' ' ' ARG . 0.0 OUTLIER -64.32 -44.02 92.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -63.6 -40.36 96.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.7 -43.83 92.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.421 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 1.8 t -65.32 -42.58 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.32 -47.59 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.86 -40.58 97.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' B' ' 565' ' ' SER . 28.1 mt-10 -62.05 -91.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.489 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.54 92.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.36 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 565' ' ' SER . . . . . 0.476 ' N ' ' O ' ' B' ' 563' ' ' GLU . 6.7 t -121.8 62.63 0.93 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.594 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -71.48 -88.09 0.13 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.58 120.19 13.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.369 . . . . 0.0 110.634 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.548 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.758 0.313 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.618 HD13 HG22 ' B' ' 508' ' ' VAL . 0.7 OUTLIER -82.58 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.419 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 45.7 mt -125.3 140.25 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.561 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -118.87 129.56 55.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -106.13 126.74 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.426 ' CG2' HD11 ' A' ' 342' ' ' ILE . 29.0 mt -131.27 92.88 31.26 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.132 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -46.9 121.05 4.61 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.354 2.036 . . . . 0.0 112.158 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 34.0 m -47.35 -27.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.04 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -97.61 -51.69 4.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 342' ' ' ILE . . . . . 0.426 HD11 ' CG2' ' A' ' 337' ' ' ILE . 4.1 mt -78.2 -59.09 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 343' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.741 0.305 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 504' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 508' ' ' VAL . 4.4 mt -55.57 -35.98 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -48.89 77.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.35 -49.52 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 507' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.1 mt -50.56 -47.17 57.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 508' ' ' VAL . . . . . 0.618 HG22 HD13 ' A' ' 333' ' ' LEU . 57.8 t -63.75 -49.95 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.53 -41.73 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.16 -61.56 2.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.522 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 511' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -40.74 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 512' ' ' ARG . . . . . 0.421 ' O ' HG23 ' B' ' 516' ' ' THR . 20.3 mtp180 -56.71 -49.71 74.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.627 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.74 -38.62 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.7 tpt -57.42 -10.77 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 516' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 512' ' ' ARG . 3.2 p -100.06 -25.34 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.95 162.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -131.52 6.76 4.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 519' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' B' ' 519' ' ' GLU . 8.7 mp0 -85.29 111.81 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -74.99 -38.84 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.675 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -55.1 28.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.3 mt -54.35 -32.77 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 523' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.0 OUTLIER -64.01 -41.62 97.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.737 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.71 -45.4 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 525' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' B' ' 525' ' ' GLN . 0.6 OUTLIER -58.96 -45.88 89.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 110.527 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 526' ' ' ILE . . . . . 0.419 HG23 HD21 ' B' ' 558' ' ' LEU . 48.3 mt -55.19 -50.2 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.374 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 527' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 523' ' ' LEU . 61.4 t -45.93 -47.06 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.519 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -58.64 -39.69 81.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 529' ' ' LEU . . . . . 0.461 HD21 ' HD3' ' B' ' 557' ' ' LYS . 0.3 OUTLIER -58.16 -39.63 79.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 9.5 mm -67.13 -35.71 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.416 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.51 -27.88 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.569 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.58 -44.33 87.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 533' ' ' THR . . . . . 0.451 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.8 t -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.76 27.78 1.48 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 535' ' ' HIS . . . . . 0.451 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -124.53 100.84 6.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.747 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -175.07 -177.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.727 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 537' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' B' ' 544' ' ' ASP . 2.0 t60 -137.23 101.31 4.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 538' ' ' ILE . . . . . 0.478 ' O ' HG23 ' B' ' 538' ' ' ILE . 1.1 tt -93.61 127.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.852 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.5 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -88.16 153.66 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.441 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -65.09 -10.5 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.6 13.55 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.6 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 542' ' ' THR . . . . . 0.5 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.3 167.01 12.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -131.33 120.08 22.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 544' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -139.5 152.72 47.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -151.4 146.32 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.643 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 546' ' ' ASP . . . . . 0.446 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.32 140.24 31.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 547' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.95 -37.66 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 548' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 48.9 t -77.44 6.75 6.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 549' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 36.4 p -104.48 -27.94 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 39.3 mt -57.98 164.51 2.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' B' ' 551' ' ' ASP . 0.4 OUTLIER -98.17 168.89 9.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 552' ' ' LYS . . . . . 0.422 ' H ' ' CD ' ' B' ' 552' ' ' LYS . 0.2 OUTLIER -52.45 -40.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 10.2 m -53.87 -55.74 24.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -60.04 4.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.725 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 58.7 t -48.22 -39.98 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -44.83 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 557' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' B' ' 529' ' ' LEU . 0.7 OUTLIER -62.75 -36.55 83.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.426 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 558' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 526' ' ' ILE . 96.1 mt -63.35 -43.17 98.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -60.61 -40.3 91.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -32.34 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.6 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.08 -50.74 72.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.461 0.084 0 CA-C-O 120.875 0.369 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' B' ' 547' ' ' LEU . 4.0 tp -151.98 100.09 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.35 141.79 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.869 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -118.96 130.88 55.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -106.77 123.78 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 342' ' ' ILE . 23.9 mt -125.87 89.87 51.52 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.219 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -46.98 123.26 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.281 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.458 ' C ' ' N ' ' A' ' 341' ' ' ARG . 1.2 m -42.25 -37.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.571 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -50.46 -11.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 339' ' ' VAL . 32.3 ttm180 -97.47 -55.93 2.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 342' ' ' ILE . . . . . 0.45 HG21 HG21 ' B' ' 527' ' ' VAL . 4.1 mt -74.6 -55.34 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.571 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 343' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.799 0.333 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 504' ' ' LEU . . . . . 0.597 ' O ' HG23 ' B' ' 508' ' ' VAL . 3.0 mt -57.51 -48.54 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.631 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -46.82 66.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 506' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 559' ' ' GLN . 3.0 mm-40 -59.02 -50.95 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 507' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.0 mt -54.31 -44.44 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 508' ' ' VAL . . . . . 0.597 HG23 ' O ' ' B' ' 504' ' ' LEU . 39.6 t -64.56 -49.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.476 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.77 -44.23 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.35 -59.97 4.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 511' ' ' HIS . . . . . 0.869 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.5 OUTLIER -50.26 -37.87 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -50.98 71.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -63.27 -34.45 77.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -44.11 97.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 27.0 mtp -58.83 -12.74 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.1 m -95.04 -33.64 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.47 144.75 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 19.69 8.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.615 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -100.07 101.35 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -32.64 74.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.513 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -55.5 -40.17 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.23 -33.23 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 523' ' ' LEU . . . . . 0.775 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.8 mp -64.24 -41.7 96.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.574 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -55.73 -50.9 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.4 -45.13 92.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 31.7 mt -55.84 -53.12 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 527' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 523' ' ' LEU . 36.4 t -41.87 -43.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.34 -42.6 96.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -36.41 69.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 11.4 mm -71.75 -38.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.48 -26.92 65.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 533' ' ' THR . . . . . 0.412 HG23 ' H ' ' B' ' 535' ' ' HIS . 1.9 t -72.46 1.9 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 45.23 27.0 1.57 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 535' ' ' HIS . . . . . 0.412 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -116.19 97.17 5.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.662 0.267 . . . . 0.0 110.722 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -174.02 -176.72 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 537' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.0 OUTLIER -139.5 101.14 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.501 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.87 136.28 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.46 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -97.11 156.63 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.435 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -58.48 -23.63 58.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 1.2 p -139.66 25.56 2.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 542' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.33 165.64 15.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.577 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -134.98 115.18 13.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 544' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' B' ' 537' ' ' HIS . 6.8 p30 -136.9 149.25 47.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.479 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -142.54 144.51 32.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 546' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.01 138.95 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 547' ' ' LEU . . . . . 0.474 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.39 -35.56 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.357 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 11.19 3.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 549' ' ' SER . . . . . 0.411 ' CB ' ' OD2' ' B' ' 546' ' ' ASP . 28.3 m -106.77 -25.99 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 44.1 mt -71.43 143.68 50.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -83.88 -177.81 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 552' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' B' ' 556' ' ' ARG . 0.5 OUTLIER -63.8 -20.69 65.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 94.7 m -62.95 -56.88 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.516 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -56.72 8.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.736 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 94.9 t -43.09 -37.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.701 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 556' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' B' ' 552' ' ' LYS . 15.6 mmm180 -68.98 -48.34 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -60.87 -34.17 74.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.16 -44.56 72.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 559' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' B' ' 506' ' ' GLU . 24.0 mt-30 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 64.7 m -70.43 -43.72 69.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.2 -45.73 34.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.357 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.531 HD23 ' CB ' ' B' ' 547' ' ' LEU . 2.8 tp -137.78 102.96 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.439 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 2.7 mp -129.24 140.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.776 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.684 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -116.32 127.27 54.55 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.709 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 121.22 43.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.66 89.8 24.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.878 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -49.22 125.97 14.57 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.255 1.97 . . . . 0.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 341' ' ' ARG . 11.3 m -43.9 -38.23 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 340' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 339' ' ' VAL . . . -49.99 -10.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 339' ' ' VAL . 64.5 ttt180 -97.34 -53.2 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.752 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 342' ' ' ILE . . . . . 0.418 HG12 HG21 ' B' ' 527' ' ' VAL . 4.2 mt -77.65 -58.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.527 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 343' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.752 0.31 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 504' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.6 mt -60.97 -34.4 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.514 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -46.63 89.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -59.24 -54.22 49.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 507' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' B' ' 547' ' ' LEU . 5.6 mt -48.69 -51.75 26.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 508' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 504' ' ' LEU . 56.3 t -61.47 -48.48 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.3 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -40.81 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.85 -61.52 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 511' ' ' HIS . . . . . 0.684 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 1.3 t60 -49.09 -35.3 15.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.334 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -56.97 15.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.05 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -64.01 -25.02 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.727 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -43.05 88.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 28.7 mtt -54.73 -28.61 49.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 7.2 p -88.45 5.3 43.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.531 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.7 tp -82.32 120.85 25.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -95.19 -28.06 15.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.45 101.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -72.29 -31.17 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.57 -47.31 84.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.7 mt -60.2 -32.77 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 523' ' ' LEU . . . . . 0.741 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.2 tp -61.08 -39.84 91.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -60.52 -44.22 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.58 -46.07 91.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 51.6 mt -56.5 -51.84 60.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 527' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 523' ' ' LEU . 48.6 t -43.27 -45.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.464 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 529' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' B' ' 532' ' ' GLU . 5.9 tp -52.28 -61.56 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 109.904 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 530' ' ' ILE . . . . . 0.468 HG22 ' HB3' ' B' ' 536' ' ' PHE . 8.5 mm -45.99 -40.75 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.459 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 531' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' B' ' 536' ' ' PHE . 6.9 mm-40 -72.3 -27.51 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.186 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 532' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' B' ' 529' ' ' LEU . 26.9 tt0 -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 533' ' ' THR . . . . . 0.432 HG21 HG21 ' B' ' 554' ' ' THR . 2.3 t -72.9 3.05 5.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.438 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.78 25.7 5.09 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 535' ' ' HIS . . . . . 0.418 ' H ' HG23 ' B' ' 533' ' ' THR . 0.5 OUTLIER -123.47 101.03 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.68 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 536' ' ' PHE . . . . . 0.5 ' CZ ' ' OE1' ' B' ' 531' ' ' GLU . 51.4 p90 -174.1 -176.31 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.711 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.65 101.25 4.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 538' ' ' ILE . . . . . 0.558 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -93.52 119.15 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.652 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.476 ' N ' ' O ' ' B' ' 542' ' ' THR . 1.1 m -81.63 153.85 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.83 -8.13 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 81.1 p -140.19 11.82 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 542' ' ' THR . . . . . 0.476 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.31 168.17 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -133.08 117.83 18.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -139.02 161.59 37.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 545' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' B' ' 545' ' ' PHE . 6.3 p90 -152.31 142.99 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.677 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.52 111.25 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 547' ' ' LEU . . . . . 0.531 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.8 mm? -53.29 -32.29 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.432 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 548' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.0 OUTLIER -71.59 -11.57 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.521 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 549' ' ' SER . . . . . 0.403 ' OG ' ' ND1' ' B' ' 535' ' ' HIS . 16.3 t -100.65 25.74 7.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.649 HD12 ' HB ' ' B' ' 554' ' ' THR . 4.2 mm? -102.45 142.13 34.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.368 . . . . 0.0 110.629 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 551' ' ' ASP . 0.7 OUTLIER -83.48 169.25 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.71 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 552' ' ' LYS . . . . . 0.563 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -55.86 -41.92 75.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.8 m -55.73 -56.83 15.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 554' ' ' THR . . . . . 0.649 ' HB ' HD12 ' B' ' 550' ' ' LEU . 9.4 p -51.74 -58.3 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.3 t -51.07 -44.47 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.638 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -44.77 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.534 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.368 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.78 -40.55 84.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.349 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -43.16 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.502 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -49.0 -46.67 44.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.636 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.724 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.787 0.327 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.659 HD13 HG22 ' B' ' 508' ' ' VAL . 1.0 OUTLIER -75.55 102.42 5.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.98 140.47 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.516 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -109.17 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -113.87 104.76 12.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.215 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.32 129.22 24.17 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.73 122.38 7.74 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.845 1.697 . . . . 0.0 112.219 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.422 HG13 ' H ' ' A' ' 339' ' ' VAL . 5.9 m -49.36 -27.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.653 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -97.68 -52.34 3.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.32 -58.26 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.539 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.441 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.79 0.329 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 504' ' ' LEU . . . . . 0.546 HD11 ' SG ' ' B' ' 548' ' ' CYS . 4.5 mp -71.75 -45.3 62.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -49.32 -45.52 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.95 -51.26 70.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 507' ' ' LEU . . . . . 0.652 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.8 mt -51.87 -50.32 61.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 508' ' ' VAL . . . . . 0.659 HG22 HD13 ' A' ' 333' ' ' LEU . 21.2 t -62.04 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.636 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.03 -53.83 52.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.623 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 511' ' ' HIS . . . . . 0.516 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.1 OUTLIER -61.19 -40.17 92.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.69 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -54.36 -42.57 70.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -66.36 -43.91 84.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 514' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' B' ' 517' ' ' LEU . 6.4 mp -49.56 -44.78 47.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.433 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.5 mmt -43.43 -23.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 516' ' ' THR . . . . . 0.425 ' N ' ' O ' ' B' ' 514' ' ' LEU . 24.3 m -93.0 -28.58 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.741 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 517' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 514' ' ' LEU . 0.9 OUTLIER -61.47 130.6 46.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.484 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 -30.09 9.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.7 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -68.92 -24.76 64.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -61.51 -59.9 4.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.364 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 69.7 mt -50.91 -33.74 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 523' ' ' LEU . . . . . 0.526 ' O ' HG23 ' B' ' 527' ' ' VAL . 0.9 OUTLIER -57.59 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.23 -46.34 65.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 0.0 110.701 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -59.62 -45.08 93.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.119 0.485 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.84 -55.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 527' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 523' ' ' LEU . 16.2 t -43.62 -42.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.416 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -42.9 91.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.186 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.07 -36.63 77.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 530' ' ' ILE . . . . . 0.456 HD12 HD13 ' B' ' 550' ' ' LEU . 7.8 mm -69.49 -34.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.926 0.393 . . . . 0.0 110.361 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -73.58 -30.38 62.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.603 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -44.91 96.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 533' ' ' THR . . . . . 0.4 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.2 t -73.65 4.06 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.623 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.17 26.52 4.73 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 535' ' ' HIS . . . . . 0.4 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -121.03 97.9 5.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.913 0.387 . . . . 0.0 110.778 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 536' ' ' PHE . . . . . 0.448 ' HB3' HG22 ' B' ' 530' ' ' ILE . 53.4 p90 -174.44 -179.23 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.785 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.1 101.83 4.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 538' ' ' ILE . . . . . 0.564 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.2 tt -88.99 119.08 35.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.439 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -86.68 154.95 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.447 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -54.44 -33.33 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.701 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 541' ' ' THR . . . . . 0.407 ' C ' ' HG1' ' B' ' 542' ' ' THR . 6.9 p -135.82 29.26 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.628 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 542' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.46 165.74 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -136.63 108.05 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -128.64 157.73 40.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 545' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 545' ' ' PHE . 11.6 p90 -160.99 151.53 18.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.64 140.62 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.987 0.422 . . . . 0.0 110.853 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 547' ' ' LEU . . . . . 0.652 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -76.25 -41.28 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 548' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' B' ' 504' ' ' LEU . 1.7 t -70.47 14.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 549' ' ' SER . . . . . 0.51 ' H ' ' C ' ' B' ' 547' ' ' LEU . 33.5 m -113.02 -28.02 7.85 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.456 HD13 HD12 ' B' ' 530' ' ' ILE . 13.8 mt -70.67 120.5 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.74 152.23 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.553 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 552' ' ' LYS . . . . . 0.582 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -45.17 -37.62 4.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 553' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' B' ' 554' ' ' THR . 1.0 OUTLIER -48.72 -56.69 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 554' ' ' THR . . . . . 0.463 ' N ' ' OG1' ' B' ' 553' ' ' THR . 7.3 m -60.06 -52.28 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.488 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 555' ' ' VAL . . . . . 0.406 HG22 HD21 ' B' ' 507' ' ' LEU . 55.6 t -46.18 -44.57 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.471 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -58.8 -48.7 80.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -56.21 -49.05 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 80.3 mt -55.43 -43.54 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -55.63 -38.25 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -41.53 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -47.76 -51.41 22.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.438 HD23 ' CB ' ' B' ' 547' ' ' LEU . 2.9 tp -141.52 102.43 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.61 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.64 141.28 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.763 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -122.14 131.31 53.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -112.03 133.03 54.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 4.8 mt -138.4 95.14 10.39 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.33 121.5 4.66 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.38 2.054 . . . . 0.0 112.372 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 341' ' ' ARG . 29.2 m -46.73 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -51.42 -11.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' A' ' 339' ' ' VAL . 1.2 ttt180 -97.06 -56.97 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.1 mt -71.72 -58.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 343' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.748 0.308 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 504' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 508' ' ' VAL . 2.8 mt -76.13 -48.4 20.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.494 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.73 -37.9 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.348 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.37 -48.16 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 507' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' B' ' 547' ' ' LEU . 6.4 mt -55.22 -40.4 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 508' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 504' ' ' LEU . 31.1 t -66.02 -44.44 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.345 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.58 -37.78 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.545 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.63 -56.97 14.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 511' ' ' HIS . . . . . 0.763 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -53.68 -42.06 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -57.03 -56.6 19.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 513' ' ' ARG . . . . . 0.433 HH11 ' CG ' ' B' ' 513' ' ' ARG . 5.2 mtt85 -57.51 -40.97 79.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.17 -44.86 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.524 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.57 -3.84 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.486 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.12 -21.26 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.526 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.13 147.96 51.58 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -38.16 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.537 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.12 112.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -73.86 -36.92 64.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -54.1 -34.5 60.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 1.6 mm -69.54 -35.07 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 523' ' ' LEU . . . . . 0.634 ' O ' HG23 ' B' ' 527' ' ' VAL . 4.5 mp -62.38 -38.72 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -60.43 -51.8 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -54.61 -43.08 71.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.572 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 43.0 mt -58.1 -50.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 527' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 523' ' ' LEU . 46.9 t -46.37 -41.53 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.19 -42.68 99.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 529' ' ' LEU . . . . . 0.447 HD11 ' CD ' ' B' ' 557' ' ' LYS . 0.4 OUTLIER -53.78 -36.57 62.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 12.2 mm -70.51 -43.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.289 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.11 -26.09 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.71 -50.41 69.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 533' ' ' THR . . . . . 0.448 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.5 t -72.14 3.42 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.435 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 43.45 26.12 0.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 535' ' ' HIS . . . . . 0.448 ' H ' HG23 ' B' ' 533' ' ' THR . 2.9 t-160 -116.89 97.71 6.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -172.51 -176.34 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 537' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' B' ' 544' ' ' ASP . 1.2 t60 -137.83 101.23 4.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 538' ' ' ILE . . . . . 0.48 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -92.13 127.41 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.946 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.486 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -81.77 156.07 25.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.334 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.7 -19.8 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 10.2 p -138.99 22.72 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 542' ' ' THR . . . . . 0.486 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.78 167.26 13.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -128.19 122.14 31.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.767 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 544' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 545' ' ' PHE . 6.4 t0 -138.39 151.58 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 545' ' ' PHE . . . . . 0.483 ' N ' ' OD1' ' B' ' 544' ' ' ASP . 9.1 p90 -150.29 141.59 23.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.374 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 546' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 8.9 t0 -84.12 139.97 32.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 547' ' ' LEU . . . . . 0.527 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.95 -36.25 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.75 9.36 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.699 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 549' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 77.9 p -107.69 -25.26 11.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.413 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.46 123.92 20.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 553' ' ' THR . 1.8 m-20 -64.54 152.95 40.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.262 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -18.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.693 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 553' ' ' THR . . . . . 0.528 ' N ' ' O ' ' B' ' 551' ' ' ASP . 5.9 m -65.29 -56.25 13.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.439 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.45 4.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.433 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 60.6 t -41.56 -44.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.657 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.876 0.369 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 557' ' ' LYS . . . . . 0.447 ' CD ' HD11 ' B' ' 529' ' ' LEU . 11.8 mttt -61.44 -49.29 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.01 -41.72 71.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -57.43 -41.35 80.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.196 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 64.8 p -69.23 -40.28 78.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -48.97 -49.36 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.811 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.708 0.29 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 1.4 tp -91.05 101.23 13.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.407 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 44.4 mt -128.06 140.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -124.13 133.23 53.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -101.8 141.62 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.243 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.687 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.5 OUTLIER -138.36 92.62 11.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.37 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.37 121.41 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.131 1.887 . . . . 0.0 112.298 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' A' ' 341' ' ' ARG . 15.5 m -47.65 -35.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.404 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.55 -8.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 339' ' ' VAL . 57.7 ttt180 -97.04 -56.43 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 342' ' ' ILE . . . . . 0.409 HG23 ' HG2' ' B' ' 524' ' ' GLN . 1.8 mt -77.99 -57.77 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 343' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 343' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.416 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.83 0.348 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 504' ' ' LEU . . . . . 0.701 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.8 mt -57.59 -45.67 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.01 -44.37 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.543 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.24 -52.29 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 507' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.8 mt -54.47 -50.06 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 508' ' ' VAL . . . . . 0.701 HG23 ' O ' ' B' ' 504' ' ' LEU . 52.1 t -55.86 -46.31 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.407 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.11 -42.05 97.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 510' ' ' LEU . . . . . 0.439 ' O ' HD13 ' B' ' 510' ' ' LEU . 0.2 OUTLIER -53.39 -58.32 7.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 511' ' ' HIS . . . . . 0.632 ' CE1' HD11 ' B' ' 547' ' ' LEU . 0.1 OUTLIER -58.15 -49.17 77.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.63 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -47.4 21.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.737 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -73.21 -45.94 53.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.71 -25.05 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.716 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 14.0 ttm -73.83 -25.54 60.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -84.99 -20.02 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.83 161.71 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -131.45 9.75 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -85.37 99.41 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -72.13 -31.49 66.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.41 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.58 -32.96 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 523' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.7 mm? -62.27 -37.4 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 524' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 342' ' ' ILE . 33.9 mt-30 -62.74 -47.04 85.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -40.79 85.77 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 35.7 mt -58.1 -50.29 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 527' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 523' ' ' LEU . 85.2 t -42.13 -45.61 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -62.21 -40.96 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.162 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 529' ' ' LEU . . . . . 0.464 HD11 ' NZ ' ' B' ' 557' ' ' LYS . 0.4 OUTLIER -57.91 -35.21 70.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 10.3 mm -71.09 -36.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.933 0.397 . . . . 0.0 110.412 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -70.4 -31.2 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.87 -48.3 81.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.5 t -72.61 3.82 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.92 29.79 0.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.4 96.63 5.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.754 0.311 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -173.91 -173.63 0.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -143.89 100.86 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 538' ' ' ILE . . . . . 0.446 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.1 tt -93.88 129.35 44.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.681 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.416 ' N ' ' O ' ' B' ' 542' ' ' THR . 24.2 m -96.3 153.06 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.85 -0.61 5.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.95 4.49 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.572 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 542' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.96 168.13 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.422 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -126.9 112.35 15.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.26 158.6 33.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 545' ' ' PHE . . . . . 0.687 ' CE1' HD11 ' A' ' 337' ' ' ILE . 4.5 p90 -156.38 144.46 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.434 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 546' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -87.27 138.13 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 547' ' ' LEU . . . . . 0.632 HD11 ' CE1' ' B' ' 511' ' ' HIS . 3.8 mm? -79.88 -34.28 39.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.05 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.06 0.96 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 549' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 59.2 p -100.7 -19.49 16.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.258 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 551' ' ' ASP . 21.6 mt -73.63 115.26 12.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.534 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.458 ' O ' HG23 ' B' ' 555' ' ' VAL . 0.5 OUTLIER -53.81 -168.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 552' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -75.66 -33.47 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.9 m -53.48 -57.04 12.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 554' ' ' THR . . . . . 0.405 HG22 HD12 ' B' ' 529' ' ' LEU . 0.0 OUTLIER -60.21 -57.6 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.726 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 555' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 551' ' ' ASP . 96.0 t -44.89 -41.35 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -67.28 -44.3 79.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.596 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 557' ' ' LYS . . . . . 0.464 ' NZ ' HD11 ' B' ' 529' ' ' LEU . 0.1 OUTLIER -58.36 -35.5 72.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.49 -50.02 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.464 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -34.48 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -46.17 46.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.56 -46.18 27.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.439 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.849 0.356 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.54 HD23 ' CB ' ' B' ' 547' ' ' LEU . 5.1 tp -155.66 100.54 2.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.431 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 51.8 mt -133.19 141.89 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.062 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.695 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -120.36 128.92 53.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.488 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 46.2 mtm-85 -96.18 131.69 42.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.462 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.775 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.5 OUTLIER -129.52 89.82 45.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.055 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.78 120.88 7.14 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.216 1.944 . . . . 0.0 112.255 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 28.7 m -51.58 -29.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.1 -13.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -97.59 -57.37 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 342' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 527' ' ' VAL . 3.1 mt -68.87 -58.93 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 343' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.775 0.321 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 504' ' ' LEU . . . . . 0.675 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.3 mp -62.94 -40.1 96.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.434 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -44.79 95.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 507' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' B' ' 547' ' ' LEU . 12.3 mt -62.5 -48.87 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.678 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 508' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 504' ' ' LEU . 18.5 t -61.45 -43.24 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.12 -43.76 98.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.407 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.83 -49.63 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 511' ' ' HIS . . . . . 0.695 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -53.94 -47.01 71.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 512' ' ' ARG . . . . . 0.468 HH11 ' CG ' ' B' ' 512' ' ' ARG . 0.7 OUTLIER -56.24 -48.36 76.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -68.02 -42.13 81.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 514' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' B' ' 516' ' ' THR . 0.8 OUTLIER -61.07 -44.93 96.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 7.3 mtt -54.23 -9.02 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.533 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 516' ' ' THR . . . . . 0.454 ' H ' ' C ' ' B' ' 514' ' ' LEU . 3.5 m -99.24 -20.62 16.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 138.69 53.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.485 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 518' ' ' ARG . . . . . 0.402 HH11 ' HB2' ' B' ' 518' ' ' ARG . 18.2 mtp-105 -121.81 -31.22 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.438 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -45.77 118.26 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -74.61 -43.25 56.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -44.94 -57.54 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.9 -33.42 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.528 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 523' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 527' ' ' VAL . 3.1 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.704 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -58.89 -48.47 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.386 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.3 -42.88 82.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 49.1 mt -57.24 -50.74 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 527' ' ' VAL . . . . . 0.551 HG21 HG21 ' A' ' 342' ' ' ILE . 57.8 t -43.34 -45.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.477 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.22 -47.01 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -38.65 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.459 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 36.7 mm -70.22 -47.67 65.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.153 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 531' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 527' ' ' VAL . 0.3 OUTLIER -59.24 -23.28 62.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.98 -51.38 55.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 1.8 t -73.21 3.57 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.77 29.24 0.49 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -116.47 99.0 6.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.704 0.288 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -174.67 -177.27 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.627 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.34 101.49 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.421 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 538' ' ' ILE . . . . . 0.52 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -88.19 124.57 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.79 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.434 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.3 OUTLIER -83.17 156.2 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.5 -24.88 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 541' ' ' THR . . . . . 0.436 ' C ' ' HG1' ' B' ' 542' ' ' THR . 11.2 p -134.6 23.79 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 542' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.22 168.74 11.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -132.85 114.56 14.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -132.65 154.72 49.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.783 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 545' ' ' PHE . . . . . 0.775 ' CE1' HD11 ' A' ' 337' ' ' ILE . 5.2 p90 -142.9 140.43 31.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.349 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.81 135.74 34.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 547' ' ' LEU . . . . . 0.54 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.8 mm? -76.18 -39.5 54.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 7.26 2.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 26.6 t -107.38 -22.97 12.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.5 mt -73.45 124.17 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 553' ' ' THR . 0.0 OUTLIER -64.99 151.82 44.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.907 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 552' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -42.5 -17.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.753 178.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 553' ' ' THR . . . . . 0.541 ' N ' ' O ' ' B' ' 551' ' ' ASP . 6.4 m -67.22 -57.72 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.562 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -43.97 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.312 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 65.5 t -50.25 -47.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -60.82 -43.83 97.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.14 -42.27 99.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.598 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.27 -39.29 82.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.751 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.05 -37.22 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.422 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 53.6 p -71.43 -38.4 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.583 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.14 -45.65 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.624 -179.852 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 65.8 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.915 0.388 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.72 HD23 ' CB ' ' B' ' 547' ' ' LEU . 6.2 tp -151.59 100.41 2.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.446 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.5 141.89 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' B' ' 511' ' ' HIS . . . -117.28 126.91 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.27 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 336' ' ' ARG . 28.3 ptt-85 -109.52 123.85 50.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.66 89.87 38.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.2 121.55 4.6 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.491 2.127 . . . . 0.0 112.415 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 341' ' ' ARG . 35.0 m -44.55 -39.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 340' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 339' ' ' VAL . . . -45.67 -16.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 339' ' ' VAL . 1.1 ttt-85 -93.08 -57.46 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.18 -58.61 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.305 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 343' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.528 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 13.7 t80 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.776 0.322 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 504' ' ' LEU . . . . . 0.607 ' O ' HG23 ' B' ' 508' ' ' VAL . 7.9 mt -69.97 -39.35 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -60.6 -46.24 90.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.15 -48.57 81.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 507' ' ' LEU . . . . . 0.573 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.3 mt -54.87 -47.37 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 508' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 504' ' ' LEU . 39.6 t -64.96 -47.33 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.489 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.31 -61.66 2.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.442 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 511' ' ' HIS . . . . . 0.868 ' CE1' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -48.61 -45.21 37.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -57.41 -47.49 81.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.662 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -70.27 -30.13 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.39 -38.16 77.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 3.6 mmt -60.91 -13.83 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 4.2 m -93.01 -34.23 13.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.63 153.44 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.618 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -136.94 8.82 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.31 107.51 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.545 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -55.47 26.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.95 -62.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 53.0 mt -50.43 -33.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 523' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.2 tp -64.5 -47.54 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.66 -42.36 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.7 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.2 -45.32 92.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.255 0.55 . . . . 0.0 110.474 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.97 -53.96 28.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 527' ' ' VAL . . . . . 0.588 HG13 ' CE2' ' B' ' 543' ' ' PHE . 39.3 t -42.21 -50.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.481 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -54.72 -41.52 70.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.205 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.53 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 6.9 mm -67.65 -24.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.391 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.31 -31.88 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -64.91 -37.37 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 533' ' ' THR . . . . . 0.417 ' H ' HG22 ' B' ' 533' ' ' THR . 2.2 t -72.69 1.61 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.47 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 42.01 29.48 0.59 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 101.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.784 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -175.31 -174.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.34 101.59 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 538' ' ' ILE . . . . . 0.511 HG23 ' O ' ' B' ' 538' ' ' ILE . 0.9 OUTLIER -96.68 124.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.436 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.1 OUTLIER -90.58 150.76 21.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.385 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -2.24 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.752 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 541' ' ' THR . . . . . 0.436 ' C ' ' HG1' ' B' ' 542' ' ' THR . 0.6 OUTLIER -140.17 6.64 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.563 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 542' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.19 168.65 11.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 543' ' ' PHE . . . . . 0.588 ' CE2' HG13 ' B' ' 527' ' ' VAL . 5.7 t80 -135.85 117.15 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.612 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.59 163.32 32.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 545' ' ' PHE . . . . . 0.495 ' N ' ' CD1' ' B' ' 545' ' ' PHE . 8.1 p90 -148.47 147.46 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.399 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.14 116.88 28.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 547' ' ' LEU . . . . . 0.72 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.9 mm? -61.25 -35.36 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 548' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' B' ' 549' ' ' SER . 0.5 OUTLIER -67.37 -39.72 85.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 549' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' B' ' 548' ' ' CYS . 15.1 m -72.92 -22.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.36 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.522 HD12 ' HB ' ' B' ' 554' ' ' THR . 0.5 OUTLIER -63.07 147.02 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.625 ' O ' HG23 ' B' ' 555' ' ' VAL . 0.1 OUTLIER -85.15 -175.28 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 552' ' ' LYS . . . . . 0.459 ' HD2' ' H ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -77.9 -34.0 51.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 553' ' ' THR . . . . . 0.697 HG23 ' N ' ' B' ' 554' ' ' THR . 7.1 t -47.86 -56.68 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.536 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 554' ' ' THR . . . . . 0.697 ' N ' HG23 ' B' ' 553' ' ' THR . 4.5 m -61.91 -51.33 68.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 555' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 551' ' ' ASP . 85.0 t -45.12 -44.21 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -62.9 -45.87 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.79 -38.07 89.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.96 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -58.46 -36.7 74.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.09 -41.51 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.31 -38.76 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.643 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.845 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.824 0.345 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.682 HD13 HG22 ' B' ' 508' ' ' VAL . 0.7 OUTLIER -77.87 104.43 8.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.348 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 141.22 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -119.57 135.29 54.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.526 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 8.8 ptt-85 -107.26 134.23 50.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.1 OUTLIER -130.52 89.91 42.54 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -49.71 120.99 6.56 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.312 2.008 . . . . 0.0 111.976 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 341' ' ' ARG . 0.1 OUTLIER -47.51 -38.12 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.24 -8.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.409 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.762 ' NH2' HD23 ' B' ' 523' ' ' LEU . 23.6 ttp180 -97.49 -57.9 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 342' ' ' ILE . . . . . 0.564 HG21 HG21 ' B' ' 527' ' ' VAL . 5.2 mt -75.28 -58.88 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 343' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 503' ' ' TYR . . . . . 0.423 ' CD2' HD12 ' B' ' 504' ' ' LEU . 16.4 t80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.819 0.343 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 504' ' ' LEU . . . . . 0.536 ' O ' HG23 ' B' ' 508' ' ' VAL . 6.6 mp -68.02 -38.79 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.551 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.2 -46.5 88.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 507' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.1 mt -54.96 -51.78 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 508' ' ' VAL . . . . . 0.682 HG22 HD13 ' A' ' 333' ' ' LEU . 26.8 t -58.9 -56.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -53.49 -43.59 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.75 -54.24 47.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 511' ' ' HIS . . . . . 0.464 ' CE1' HD11 ' B' ' 547' ' ' LEU . 0.2 OUTLIER -61.95 -35.2 77.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.678 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -57.96 -45.06 87.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -69.6 -43.1 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.58 -38.92 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -7.35 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.512 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 6.6 m -99.6 -24.9 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.66 162.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -129.66 7.24 5.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -93.31 103.6 15.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -69.02 -32.79 72.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -53.43 58.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -33.82 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 523' ' ' LEU . . . . . 0.762 HD23 ' NH2' ' A' ' 341' ' ' ARG . 2.5 mp -66.5 -45.37 79.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.472 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 524' ' ' GLN . . . . . 0.442 ' HG2' HG23 ' A' ' 342' ' ' ILE . 96.6 mt-30 -57.1 -38.45 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -65.04 -43.46 92.31 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 84.2 mt -55.44 -41.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 527' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 342' ' ' ILE . 64.7 t -46.52 -41.03 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.275 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -44.32 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.236 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 36.6 tp -52.81 -39.47 62.42 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.966 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.6 -48.5 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.519 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.43 -27.44 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.32 -52.71 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.7 t -73.44 3.87 5.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 40.24 29.36 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -117.63 99.91 7.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.726 0.298 . . . . 0.0 110.708 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -174.29 -175.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 537' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -137.61 100.86 4.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.264 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.09 133.28 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.406 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -98.0 153.31 18.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.334 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.84 -9.58 30.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.651 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 541' ' ' THR . . . . . 0.434 ' C ' ' HG1' ' B' ' 542' ' ' THR . 45.7 p -140.45 13.83 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 542' ' ' THR . . . . . 0.434 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.15 168.55 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.54 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.15 112.52 11.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 544' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -129.36 165.99 20.4 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.447 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 545' ' ' PHE . . . . . 0.579 ' CE1' HD11 ' A' ' 337' ' ' ILE . 7.0 p90 -163.16 144.44 9.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 546' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 0.0 OUTLIER -92.98 141.07 28.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.851 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 547' ' ' LEU . . . . . 0.547 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -74.81 -38.37 62.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.592 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 548' ' ' CYS . . . . . 0.492 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.3 OUTLIER -73.13 5.41 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 16.5 t -103.34 -28.28 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.401 HD13 HG21 ' B' ' 554' ' ' THR . 21.1 mt -67.42 151.48 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.626 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.88 152.2 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.499 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 552' ' ' LYS . . . . . 0.54 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -41.06 -43.06 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 81.3 m -47.72 -54.25 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 554' ' ' THR . . . . . 0.401 HG21 HD13 ' B' ' 550' ' ' LEU . 3.8 m -63.82 -47.99 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.679 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 555' ' ' VAL . . . . . 0.52 HG22 HD21 ' B' ' 507' ' ' LEU . 57.5 t -56.22 -32.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.751 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 33.0 mmt-85 -70.37 -45.6 65.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.788 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -61.48 -35.23 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.77 -46.27 82.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.388 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -54.33 -39.22 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 8.4 m -70.23 -41.83 73.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.685 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.37 -51.51 34.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.642 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.615 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.782 0.325 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.438 HD23 ' CB ' ' B' ' 547' ' ' LEU . 3.8 tp -147.75 100.01 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.259 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.64 141.84 43.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 335' ' ' ALA . . . . . 0.8 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -115.95 131.02 57.06 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.536 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -101.54 128.84 47.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.123 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.2 OUTLIER -127.96 89.61 49.94 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.89 121.35 8.56 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.118 1.879 . . . . 0.0 111.875 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 339' ' ' VAL . . . . . 0.439 ' C ' ' N ' ' A' ' 341' ' ' ARG . 29.7 m -46.13 -32.87 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.19 -10.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 339' ' ' VAL . 4.3 ttt180 -97.52 -56.61 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 342' ' ' ILE . . . . . 0.477 HG21 HG21 ' B' ' 527' ' ' VAL . 4.0 mt -73.15 -59.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.331 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 343' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.624 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.865 0.364 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 504' ' ' LEU . . . . . 0.652 ' O ' HG23 ' B' ' 508' ' ' VAL . 10.9 mp -65.98 -39.55 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.733 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.0 -47.64 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.457 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.4 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 507' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' B' ' 547' ' ' LEU . 8.0 mt -54.29 -47.52 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.51 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 508' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 504' ' ' LEU . 42.2 t -62.51 -47.48 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.07 -41.0 70.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.08 -60.6 3.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 511' ' ' HIS . . . . . 0.8 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -46.37 -39.56 10.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -63.97 -51.6 63.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -58.39 -23.87 58.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.1 mt -86.75 -49.08 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 11.0 mtt -47.75 -21.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 17.1 p -95.82 -36.69 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.487 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 517' ' ' LEU . . . . . 0.518 HD23 ' HG2' ' B' ' 519' ' ' GLU . 1.3 mp -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 518' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' B' ' 520' ' ' ARG . 10.6 tpp180 -132.85 9.83 4.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 519' ' ' GLU . . . . . 0.518 ' HG2' HD23 ' B' ' 517' ' ' LEU . 0.5 OUTLIER -48.92 89.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.55 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 520' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' B' ' 518' ' ' ARG . 0.5 OUTLIER -75.04 -38.18 61.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.717 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.3 -53.78 45.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.707 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.24 -30.41 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 523' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 337' ' ' ILE . 11.3 tp -57.54 -41.38 80.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.781 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.75 -30.93 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -77.54 -35.17 53.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.466 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 526' ' ' ILE . . . . . 0.466 HG23 HD21 ' B' ' 558' ' ' LEU . 56.7 mt -62.28 -48.42 88.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.583 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 527' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 342' ' ' ILE . 26.3 t -42.28 -41.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.43 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.15 -49.64 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -27.96 17.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.503 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 4.1 mm -78.09 -52.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -28.91 9.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.286 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.88 -54.14 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 533' ' ' THR . . . . . 0.446 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.6 t -72.89 -0.12 12.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.31 27.53 1.2 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 535' ' ' HIS . . . . . 0.446 ' H ' HG23 ' B' ' 533' ' ' THR . 5.5 m80 -113.84 97.27 6.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 0.0 110.781 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -172.0 -175.42 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 537' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -140.86 101.79 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 538' ' ' ILE . . . . . 0.508 HG23 ' O ' ' B' ' 538' ' ' ILE . 0.9 OUTLIER -91.27 124.79 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.684 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -83.27 156.33 23.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.541 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -28.88 66.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.723 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 60.6 p -132.45 24.32 4.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 542' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.22 167.46 16.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.2 121.0 22.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 544' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.8 OUTLIER -140.85 160.7 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 -179.643 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 545' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' A' ' 337' ' ' ILE . 5.7 p90 -151.8 137.88 18.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.567 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 546' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 2.2 t0 -82.04 138.54 34.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 547' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -79.06 -36.01 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 548' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 8.5 t -77.38 11.35 2.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 2.3 m -108.58 -28.71 9.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.652 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.04 143.06 52.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.524 ' O ' HG23 ' B' ' 555' ' ' VAL . 9.9 m-20 -78.95 -169.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.472 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 552' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -72.15 -35.13 68.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.704 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 553' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' B' ' 554' ' ' THR . 0.4 OUTLIER -54.7 -57.56 11.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 554' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' B' ' 553' ' ' THR . 0.0 OUTLIER -61.25 -46.9 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 555' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 551' ' ' ASP . 78.1 t -54.81 -42.05 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.926 0.393 . . . . 0.0 110.588 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 556' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' B' ' 556' ' ' ARG . 0.0 OUTLIER -64.32 -44.02 92.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -63.6 -40.36 96.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 558' ' ' LEU . . . . . 0.466 HD21 HG23 ' B' ' 526' ' ' ILE . 96.5 mt -64.7 -43.83 92.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.421 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 1.8 t -65.32 -42.58 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.32 -47.59 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.868 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -152.16 57.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -80.11 -153.32 8.52 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -159.32 121.72 1.07 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -152.2 61.58 4.12 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 120.831 0.348 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -72.42 151.01 53.13 Favored 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.814 2.343 . . . . 0.0 112.203 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.65 119.11 34.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.273 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.618 HD13 HG22 ' B' ' 508' ' ' VAL . 0.7 OUTLIER -82.58 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.419 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 45.7 mt -125.3 140.25 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.561 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -118.87 129.56 55.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -106.13 126.74 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.426 ' CG2' HD11 ' A' ' 342' ' ' ILE . 29.0 mt -131.27 92.88 31.26 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.132 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -46.9 121.05 4.61 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.354 2.036 . . . . 0.0 112.158 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 34.0 m -47.35 -27.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.04 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -97.61 -51.69 4.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ILE . . . . . 0.426 HD11 ' CG2' ' A' ' 337' ' ' ILE . 4.1 mt -78.2 -59.09 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 343' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? -68.25 -44.9 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 344' ' ' GLY . . . . . 0.423 ' O ' ' OD1' ' A' ' 345' ' ' ASP . . . 74.06 44.99 27.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 344' ' ' GLY . 2.7 m-20 -155.65 74.66 5.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.557 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.84 -73.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.75 2.3 . . . . 0.0 112.194 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -136.96 32.91 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.672 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 39.45 -143.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.511 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.484 179.764 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.85 -16.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -62.05 -15.07 41.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -41.96 -55.02 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -51.0 -60.67 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.588 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 504' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 508' ' ' VAL . 4.4 mt -55.57 -35.98 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -48.89 77.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.35 -49.52 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 507' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.1 mt -50.56 -47.17 57.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 508' ' ' VAL . . . . . 0.618 HG22 HD13 ' A' ' 333' ' ' LEU . 57.8 t -63.75 -49.95 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.53 -41.73 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.16 -61.56 2.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.522 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 511' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -40.74 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 512' ' ' ARG . . . . . 0.421 ' O ' HG23 ' B' ' 516' ' ' THR . 20.3 mtp180 -56.71 -49.71 74.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.627 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.74 -38.62 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.7 tpt -57.42 -10.77 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 516' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 512' ' ' ARG . 3.2 p -100.06 -25.34 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.95 162.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -131.52 6.76 4.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 519' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' B' ' 519' ' ' GLU . 8.7 mp0 -85.29 111.81 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -74.99 -38.84 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.675 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -55.1 28.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.3 mt -54.35 -32.77 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 523' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.0 OUTLIER -64.01 -41.62 97.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.737 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -59.71 -45.4 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 525' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' B' ' 525' ' ' GLN . 0.6 OUTLIER -58.96 -45.88 89.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 110.527 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 526' ' ' ILE . . . . . 0.419 HG23 HD21 ' B' ' 558' ' ' LEU . 48.3 mt -55.19 -50.2 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.374 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 527' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 523' ' ' LEU . 61.4 t -45.93 -47.06 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.519 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -58.64 -39.69 81.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 529' ' ' LEU . . . . . 0.461 HD21 ' HD3' ' B' ' 557' ' ' LYS . 0.3 OUTLIER -58.16 -39.63 79.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 9.5 mm -67.13 -35.71 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.416 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.51 -27.88 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.569 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.58 -44.33 87.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 533' ' ' THR . . . . . 0.451 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.8 t -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.76 27.78 1.48 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 535' ' ' HIS . . . . . 0.451 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -124.53 100.84 6.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.747 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -175.07 -177.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.727 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 537' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' B' ' 544' ' ' ASP . 2.0 t60 -137.23 101.31 4.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 538' ' ' ILE . . . . . 0.478 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.1 tt -93.61 127.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.852 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.5 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -88.16 153.66 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.441 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -65.09 -10.5 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.6 13.55 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.6 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 542' ' ' THR . . . . . 0.5 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.3 167.01 12.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -131.33 120.08 22.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 544' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -139.5 152.72 47.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -151.4 146.32 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.643 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 546' ' ' ASP . . . . . 0.446 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.32 140.24 31.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 547' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.95 -37.66 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 548' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 48.9 t -77.44 6.75 6.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 549' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 36.4 p -104.48 -27.94 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 39.3 mt -57.98 164.51 2.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' B' ' 551' ' ' ASP . 0.4 OUTLIER -98.17 168.89 9.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 552' ' ' LYS . . . . . 0.422 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.2 OUTLIER -52.45 -40.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 10.2 m -53.87 -55.74 24.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -60.04 4.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.725 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 58.7 t -48.22 -39.98 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -44.83 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 557' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' B' ' 529' ' ' LEU . 0.7 OUTLIER -62.75 -36.55 83.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.426 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 558' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 526' ' ' ILE . 96.1 mt -63.35 -43.17 98.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -60.61 -40.3 91.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -32.34 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.6 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.08 -50.74 72.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.24 -42.57 99.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 563' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 564' ' ' THR . 12.5 mm-40 -70.47 -35.06 73.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.718 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 564' ' ' THR . . . . . 0.437 ' C ' ' O ' ' B' ' 563' ' ' GLU . 4.6 t 32.22 41.82 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 46.8 t -99.72 90.72 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.602 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -101.22 -98.5 2.34 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 15.0 m -89.91 135.85 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.46 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.645 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -104.69 -163.58 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 91.74 -49.05 2.82 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . 106.26 -158.46 15.48 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 40.9 mtm180 -104.81 155.62 37.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.4 151.01 80.92 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.714 2.276 . . . . 0.0 112.006 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p -134.88 145.86 48.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' B' ' 547' ' ' LEU . 4.0 tp -151.98 100.09 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.35 141.79 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.869 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -118.96 130.88 55.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -106.77 123.78 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 342' ' ' ILE . 23.9 mt -125.87 89.87 51.52 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.219 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -46.98 123.26 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.281 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.458 ' C ' ' N ' ' A' ' 341' ' ' ARG . 1.2 m -42.25 -37.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.571 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -50.46 -11.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 339' ' ' VAL . 32.3 ttm180 -97.47 -55.93 2.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ILE . . . . . 0.45 HG21 HG21 ' B' ' 527' ' ' VAL . 4.1 mt -74.6 -55.34 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.571 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 343' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.0 mm? -68.74 -18.24 64.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -86.8 119.2 5.12 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -135.5 72.68 64.04 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.434 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.57 167.92 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.818 2.346 . . . . 0.0 112.192 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -155.69 44.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.49 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 42.37 -144.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.544 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 14.5 mmt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -155.67 70.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.483 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -103.25 -41.36 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.557 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.98 -58.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -47.33 -59.59 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.661 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 504' ' ' LEU . . . . . 0.597 ' O ' HG23 ' B' ' 508' ' ' VAL . 3.0 mt -57.51 -48.54 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.631 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -46.82 66.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 506' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 559' ' ' GLN . 3.0 mm-40 -59.02 -50.95 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 507' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.0 mt -54.31 -44.44 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 508' ' ' VAL . . . . . 0.597 HG23 ' O ' ' B' ' 504' ' ' LEU . 39.6 t -64.56 -49.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.476 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.77 -44.23 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.35 -59.97 4.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 511' ' ' HIS . . . . . 0.869 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.5 OUTLIER -50.26 -37.87 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -50.98 71.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -63.27 -34.45 77.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -44.11 97.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 27.0 mtp -58.83 -12.74 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.1 m -95.04 -33.64 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.47 144.75 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 19.69 8.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.615 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -100.07 101.35 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -32.64 74.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.513 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -55.5 -40.17 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.23 -33.23 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 523' ' ' LEU . . . . . 0.775 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.8 mp -64.24 -41.7 96.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.574 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -55.73 -50.9 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.4 -45.13 92.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 31.7 mt -55.84 -53.12 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 527' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 523' ' ' LEU . 36.4 t -41.87 -43.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.34 -42.6 96.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -36.41 69.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 11.4 mm -71.75 -38.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.48 -26.92 65.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 533' ' ' THR . . . . . 0.412 HG23 ' H ' ' B' ' 535' ' ' HIS . 1.9 t -72.46 1.9 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 45.23 27.0 1.57 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 535' ' ' HIS . . . . . 0.412 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -116.19 97.17 5.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.662 0.267 . . . . 0.0 110.722 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -174.02 -176.72 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 537' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.0 OUTLIER -139.5 101.14 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.501 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.87 136.28 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.46 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -97.11 156.63 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.435 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -58.48 -23.63 58.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 1.2 p -139.66 25.56 2.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 542' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.33 165.64 15.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.577 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -134.98 115.18 13.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 544' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' B' ' 537' ' ' HIS . 6.8 p30 -136.9 149.25 47.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.479 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -142.54 144.51 32.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 546' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.01 138.95 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 547' ' ' LEU . . . . . 0.474 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.39 -35.56 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.357 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 11.19 3.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 549' ' ' SER . . . . . 0.411 ' CB ' ' OD2' ' B' ' 546' ' ' ASP . 28.3 m -106.77 -25.99 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 44.1 mt -71.43 143.68 50.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -83.88 -177.81 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 552' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' B' ' 556' ' ' ARG . 0.5 OUTLIER -63.8 -20.69 65.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 94.7 m -62.95 -56.88 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.516 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -56.72 8.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.736 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 94.9 t -43.09 -37.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.701 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 556' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' B' ' 552' ' ' LYS . 15.6 mmm180 -68.98 -48.34 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -60.87 -34.17 74.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.16 -44.56 72.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 559' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' B' ' 506' ' ' GLU . 24.0 mt-30 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 560' ' ' SER . . . . . 0.489 ' O ' ' N ' ' B' ' 564' ' ' THR . 64.7 m -70.43 -43.72 69.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.2 -45.73 34.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.33 -41.0 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.357 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -79.37 -0.69 33.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.731 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 564' ' ' THR . . . . . 0.489 ' N ' ' O ' ' B' ' 560' ' ' SER . 10.1 t -40.09 126.72 2.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.368 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 7.4 p -168.07 48.2 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.498 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 160.76 139.98 2.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.26 -178.1 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.739 0.304 . . . . 0.0 110.547 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.603 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -58.64 162.66 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 95.96 -153.72 20.66 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -143.59 145.09 14.54 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -137.21 61.76 34.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.649 0.261 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -71.5 171.93 15.27 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.569 2.179 . . . . 0.0 112.121 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 m -136.94 151.44 49.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.658 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.531 HD23 ' CB ' ' B' ' 547' ' ' LEU . 2.8 tp -137.78 102.96 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.439 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 2.7 mp -129.24 140.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.776 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.684 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -116.32 127.27 54.55 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.709 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 121.22 43.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.66 89.8 24.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.878 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -49.22 125.97 14.57 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.255 1.97 . . . . 0.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 341' ' ' ARG . 11.3 m -43.9 -38.23 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 340' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 339' ' ' VAL . . . -49.99 -10.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 339' ' ' VAL . 64.5 ttt180 -97.34 -53.2 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.752 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ILE . . . . . 0.418 HG12 HG21 ' B' ' 527' ' ' VAL . 4.2 mt -77.65 -58.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.527 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 343' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.0 mm? -67.1 -17.57 64.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -70.13 121.56 10.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 345' ' ' ASP . 2.6 p30 -155.67 62.74 3.32 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -75.34 17.78 0.61 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.695 2.263 . . . . 0.0 112.128 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.7 65.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -53.13 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.541 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.501 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 20.4 mtm . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.52 98.57 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -52.33 -40.74 62.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.528 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -41.54 -64.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.48 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -46.02 -51.88 12.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 504' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.6 mt -60.97 -34.4 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.514 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -46.63 89.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -59.24 -54.22 49.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 507' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' B' ' 547' ' ' LEU . 5.6 mt -48.69 -51.75 26.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 508' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 504' ' ' LEU . 56.3 t -61.47 -48.48 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.3 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -40.81 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.85 -61.52 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 511' ' ' HIS . . . . . 0.684 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 1.3 t60 -49.09 -35.3 15.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.334 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -56.97 15.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.05 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -64.01 -25.02 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.727 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -43.05 88.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 28.7 mtt -54.73 -28.61 49.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 7.2 p -88.45 5.3 43.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.531 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.7 tp -82.32 120.85 25.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -95.19 -28.06 15.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.45 101.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -72.29 -31.17 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.57 -47.31 84.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.7 mt -60.2 -32.77 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 523' ' ' LEU . . . . . 0.741 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.2 tp -61.08 -39.84 91.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -60.52 -44.22 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.58 -46.07 91.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 51.6 mt -56.5 -51.84 60.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 527' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 523' ' ' LEU . 48.6 t -43.27 -45.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.464 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 529' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' B' ' 532' ' ' GLU . 5.9 tp -52.28 -61.56 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 109.904 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 530' ' ' ILE . . . . . 0.468 HG22 ' HB3' ' B' ' 536' ' ' PHE . 8.5 mm -45.99 -40.75 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.459 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 531' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' B' ' 536' ' ' PHE . 6.9 mm-40 -72.3 -27.51 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.186 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 532' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' B' ' 529' ' ' LEU . 26.9 tt0 -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 533' ' ' THR . . . . . 0.432 HG21 HG21 ' B' ' 554' ' ' THR . 2.3 t -72.9 3.05 5.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.438 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.78 25.7 5.09 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 535' ' ' HIS . . . . . 0.418 ' H ' HG23 ' B' ' 533' ' ' THR . 0.5 OUTLIER -123.47 101.03 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.68 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 536' ' ' PHE . . . . . 0.5 ' CZ ' ' OE1' ' B' ' 531' ' ' GLU . 51.4 p90 -174.1 -176.31 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.711 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.65 101.25 4.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 538' ' ' ILE . . . . . 0.558 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -93.52 119.15 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.652 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.476 ' N ' ' O ' ' B' ' 542' ' ' THR . 1.1 m -81.63 153.85 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.83 -8.13 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 81.1 p -140.19 11.82 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 542' ' ' THR . . . . . 0.476 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.31 168.17 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -133.08 117.83 18.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -139.02 161.59 37.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 545' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' B' ' 545' ' ' PHE . 6.3 p90 -152.31 142.99 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.677 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.52 111.25 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 547' ' ' LEU . . . . . 0.531 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.8 mm? -53.29 -32.29 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.432 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 548' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.0 OUTLIER -71.59 -11.57 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.521 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 549' ' ' SER . . . . . 0.403 ' OG ' ' ND1' ' B' ' 535' ' ' HIS . 16.3 t -100.65 25.74 7.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.649 HD12 ' HB ' ' B' ' 554' ' ' THR . 4.2 mm? -102.45 142.13 34.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.368 . . . . 0.0 110.629 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 551' ' ' ASP . 0.7 OUTLIER -83.48 169.25 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.71 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 552' ' ' LYS . . . . . 0.563 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -55.86 -41.92 75.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.8 m -55.73 -56.83 15.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 554' ' ' THR . . . . . 0.649 ' HB ' HD12 ' B' ' 550' ' ' LEU . 9.4 p -51.74 -58.3 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.3 t -51.07 -44.47 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.638 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -44.77 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.534 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.368 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.78 -40.55 84.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.349 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -43.16 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.502 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -49.0 -46.67 44.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.636 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.92 -45.17 78.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.724 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.39 -68.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 15.1 t -79.25 146.45 33.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.416 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 565' ' ' SER . . . . . 0.508 ' O ' ' N ' ' B' ' 567' ' ' THR . 0.0 OUTLIER -126.47 -10.15 6.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.513 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 44.59 -90.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 567' ' ' THR . . . . . 0.508 ' N ' ' O ' ' B' ' 565' ' ' SER . 0.0 OUTLIER 52.89 103.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.581 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.495 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -79.84 -62.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.501 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -174.57 109.04 0.28 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.75 78.33 0.26 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -151.46 68.63 7.84 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.817 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.28 170.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.784 2.323 . . . . 0.0 111.854 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 53.8 p -103.46 85.28 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.399 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.659 HD13 HG22 ' B' ' 508' ' ' VAL . 1.0 OUTLIER -75.55 102.42 5.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.98 140.47 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.516 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -109.17 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -113.87 104.76 12.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.215 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.32 129.22 24.17 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.73 122.38 7.74 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.845 1.697 . . . . 0.0 112.219 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.422 HG13 ' H ' ' A' ' 339' ' ' VAL . 5.9 m -49.36 -27.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.653 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -97.68 -52.34 3.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.32 -58.26 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.539 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.1 mm? -68.56 -30.48 69.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.441 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 80.36 -121.17 5.38 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -163.17 68.92 1.84 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.779 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.21 152.5 3.55 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.72 2.28 . . . . 0.0 112.036 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -145.83 45.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.508 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 348' ' ' GLU . 1.4 mp0 -40.78 128.04 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.637 -179.851 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 40.6 mtm . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 48.38 84.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 501' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 504' ' ' LEU . 5.9 tttp -144.52 -42.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -39.92 -40.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.61 -45.02 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.438 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 504' ' ' LEU . . . . . 0.546 HD11 ' SG ' ' B' ' 548' ' ' CYS . 4.5 mp -71.75 -45.3 62.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -49.32 -45.52 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.95 -51.26 70.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 507' ' ' LEU . . . . . 0.652 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.8 mt -51.87 -50.32 61.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 508' ' ' VAL . . . . . 0.659 HG22 HD13 ' A' ' 333' ' ' LEU . 21.2 t -62.04 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.636 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.03 -53.83 52.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.623 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 511' ' ' HIS . . . . . 0.516 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.1 OUTLIER -61.19 -40.17 92.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.69 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -54.36 -42.57 70.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -66.36 -43.91 84.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 514' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' B' ' 517' ' ' LEU . 6.4 mp -49.56 -44.78 47.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.433 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.5 mmt -43.43 -23.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 516' ' ' THR . . . . . 0.425 ' N ' ' O ' ' B' ' 514' ' ' LEU . 24.3 m -93.0 -28.58 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.741 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 517' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 514' ' ' LEU . 0.9 OUTLIER -61.47 130.6 46.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.484 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 -30.09 9.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.7 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -68.92 -24.76 64.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -61.51 -59.9 4.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.364 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 69.7 mt -50.91 -33.74 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 523' ' ' LEU . . . . . 0.526 ' O ' HG23 ' B' ' 527' ' ' VAL . 0.9 OUTLIER -57.59 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.23 -46.34 65.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 0.0 110.701 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -59.62 -45.08 93.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.119 0.485 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.84 -55.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 527' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 523' ' ' LEU . 16.2 t -43.62 -42.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.416 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -42.9 91.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.186 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.07 -36.63 77.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 530' ' ' ILE . . . . . 0.456 HD12 HD13 ' B' ' 550' ' ' LEU . 7.8 mm -69.49 -34.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.926 0.393 . . . . 0.0 110.361 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -73.58 -30.38 62.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.603 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -44.91 96.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 533' ' ' THR . . . . . 0.4 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.2 t -73.65 4.06 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.623 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.17 26.52 4.73 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 535' ' ' HIS . . . . . 0.4 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -121.03 97.9 5.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.913 0.387 . . . . 0.0 110.778 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 536' ' ' PHE . . . . . 0.448 ' HB3' HG22 ' B' ' 530' ' ' ILE . 53.4 p90 -174.44 -179.23 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.785 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.1 101.83 4.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 538' ' ' ILE . . . . . 0.564 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.2 tt -88.99 119.08 35.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.439 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -86.68 154.95 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.447 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -54.44 -33.33 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.701 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 541' ' ' THR . . . . . 0.407 ' C ' ' HG1' ' B' ' 542' ' ' THR . 6.9 p -135.82 29.26 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.628 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 542' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.46 165.74 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -136.63 108.05 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -128.64 157.73 40.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 545' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 545' ' ' PHE . 11.6 p90 -160.99 151.53 18.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.64 140.62 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.987 0.422 . . . . 0.0 110.853 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 547' ' ' LEU . . . . . 0.652 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -76.25 -41.28 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 548' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' B' ' 504' ' ' LEU . 1.7 t -70.47 14.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 549' ' ' SER . . . . . 0.51 ' H ' ' C ' ' B' ' 547' ' ' LEU . 33.5 m -113.02 -28.02 7.85 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.456 HD13 HD12 ' B' ' 530' ' ' ILE . 13.8 mt -70.67 120.5 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.74 152.23 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.553 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 552' ' ' LYS . . . . . 0.582 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -45.17 -37.62 4.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 553' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' B' ' 554' ' ' THR . 1.0 OUTLIER -48.72 -56.69 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 554' ' ' THR . . . . . 0.463 ' N ' ' OG1' ' B' ' 553' ' ' THR . 7.3 m -60.06 -52.28 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.488 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 555' ' ' VAL . . . . . 0.406 HG22 HD21 ' B' ' 507' ' ' LEU . 55.6 t -46.18 -44.57 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.471 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -58.8 -48.7 80.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -56.21 -49.05 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 80.3 mt -55.43 -43.54 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -55.63 -38.25 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 560' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 564' ' ' THR . 0.6 OUTLIER -71.89 -41.53 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -47.76 -51.41 22.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.72 -44.16 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -78.04 -79.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.668 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 564' ' ' THR . . . . . 0.429 ' O ' ' O ' ' B' ' 560' ' ' SER . 0.1 OUTLIER -104.58 159.01 16.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.582 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.41 132.22 52.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.56 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -161.95 140.23 6.46 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 72.3 p -132.22 48.77 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.631 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.513 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -146.74 103.7 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 103.22 75.15 1.05 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.43 -118.1 1.67 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -152.79 69.22 7.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.53 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.51 155.25 3.65 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.774 2.316 . . . . 0.0 112.175 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.85 146.68 22.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.438 HD23 ' CB ' ' B' ' 547' ' ' LEU . 2.9 tp -141.52 102.43 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.61 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.64 141.28 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.763 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -122.14 131.31 53.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -112.03 133.03 54.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 4.8 mt -138.4 95.14 10.39 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.33 121.5 4.66 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.38 2.054 . . . . 0.0 112.372 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 341' ' ' ARG . 29.2 m -46.73 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -51.42 -11.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' A' ' 339' ' ' VAL . 1.2 ttt180 -97.06 -56.97 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.1 mt -71.72 -58.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.3 mm? -73.37 -36.84 66.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -95.87 -178.16 36.4 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -171.89 64.91 0.38 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -45.81 152.23 1.12 Allowed 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.77 2.313 . . . . 0.0 112.069 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -177.13 49.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.616 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.7 -10.14 33.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' B' ' 500' ' ' ASP . 0.0 OUTLIER -43.82 160.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.507 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 501' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' B' ' 504' ' ' LEU . 7.0 tptp -170.65 150.7 3.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.563 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 502' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' B' ' 501' ' ' LYS . . . -39.63 -30.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.469 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 503' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' B' ' 501' ' ' LYS . 8.0 t80 -83.13 -41.08 18.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.372 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 504' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 508' ' ' VAL . 2.8 mt -76.13 -48.4 20.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.494 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.73 -37.9 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.348 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.37 -48.16 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 507' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' B' ' 547' ' ' LEU . 6.4 mt -55.22 -40.4 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 508' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 504' ' ' LEU . 31.1 t -66.02 -44.44 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.345 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.58 -37.78 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.545 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.63 -56.97 14.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 511' ' ' HIS . . . . . 0.763 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -53.68 -42.06 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -57.03 -56.6 19.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 513' ' ' ARG . . . . . 0.433 HH11 ' CG ' ' B' ' 513' ' ' ARG . 5.2 mtt85 -57.51 -40.97 79.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.17 -44.86 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.524 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.57 -3.84 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.486 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.12 -21.26 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.526 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.13 147.96 51.58 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -38.16 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.537 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.12 112.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -73.86 -36.92 64.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -54.1 -34.5 60.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 1.6 mm -69.54 -35.07 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 523' ' ' LEU . . . . . 0.634 ' O ' HG23 ' B' ' 527' ' ' VAL . 4.5 mp -62.38 -38.72 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -60.43 -51.8 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -54.61 -43.08 71.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.572 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 43.0 mt -58.1 -50.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 527' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 523' ' ' LEU . 46.9 t -46.37 -41.53 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.19 -42.68 99.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 529' ' ' LEU . . . . . 0.447 HD11 ' CD ' ' B' ' 557' ' ' LYS . 0.4 OUTLIER -53.78 -36.57 62.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 12.2 mm -70.51 -43.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.289 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.11 -26.09 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.71 -50.41 69.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 533' ' ' THR . . . . . 0.448 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.5 t -72.14 3.42 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.435 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 43.45 26.12 0.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 535' ' ' HIS . . . . . 0.448 ' H ' HG23 ' B' ' 533' ' ' THR . 2.9 t-160 -116.89 97.71 6.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -172.51 -176.34 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 537' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' B' ' 544' ' ' ASP . 1.2 t60 -137.83 101.23 4.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 538' ' ' ILE . . . . . 0.48 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -92.13 127.41 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.946 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.486 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -81.77 156.07 25.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.334 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.7 -19.8 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 10.2 p -138.99 22.72 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 542' ' ' THR . . . . . 0.486 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.78 167.26 13.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -128.19 122.14 31.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.767 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 544' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 545' ' ' PHE . 6.4 t0 -138.39 151.58 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 545' ' ' PHE . . . . . 0.483 ' N ' ' OD1' ' B' ' 544' ' ' ASP . 9.1 p90 -150.29 141.59 23.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.374 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 546' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 8.9 t0 -84.12 139.97 32.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 547' ' ' LEU . . . . . 0.527 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.95 -36.25 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.75 9.36 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.699 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 549' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 77.9 p -107.69 -25.26 11.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.413 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.46 123.92 20.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 553' ' ' THR . 1.8 m-20 -64.54 152.95 40.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.262 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -18.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.693 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 553' ' ' THR . . . . . 0.528 ' N ' ' O ' ' B' ' 551' ' ' ASP . 5.9 m -65.29 -56.25 13.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.439 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.45 4.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.433 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 60.6 t -41.56 -44.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.657 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.876 0.369 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 557' ' ' LYS . . . . . 0.447 ' CD ' HD11 ' B' ' 529' ' ' LEU . 11.8 mttt -61.44 -49.29 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.01 -41.72 71.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -57.43 -41.35 80.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.196 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 560' ' ' SER . . . . . 0.403 ' O ' HG22 ' B' ' 564' ' ' THR . 64.8 p -69.23 -40.28 78.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -48.97 -49.36 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.18 -44.03 97.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.45 -72.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 564' ' ' THR . . . . . 0.434 HG22 ' H ' ' B' ' 564' ' ' THR . 0.1 OUTLIER -73.28 156.33 38.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.462 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 13.9 p -146.32 -169.03 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -90.23 -49.36 3.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 2.6 t -163.56 145.39 9.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.815 0.341 . . . . 0.0 110.548 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.608 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 326' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 327' ' ' GLN . 5.2 p . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' GLN . . . . . 0.429 ' N ' ' OG1' ' A' ' 326' ' ' THR . 2.0 mt-30 45.96 62.49 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.472 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -96.01 -179.95 35.57 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.82 100.39 2.47 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -62.96 155.33 72.84 Favored Pre-proline 0 C--N 1.33 -0.244 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.679 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -68.32 133.44 28.37 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.612 2.208 . . . . 0.0 112.044 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p -87.22 91.28 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.412 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 1.4 tp -91.05 101.23 13.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.407 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 44.4 mt -128.06 140.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -124.13 133.23 53.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -101.8 141.62 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.243 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.687 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.5 OUTLIER -138.36 92.62 11.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.37 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.37 121.41 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.131 1.887 . . . . 0.0 112.298 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' A' ' 341' ' ' ARG . 15.5 m -47.65 -35.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.404 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.55 -8.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 339' ' ' VAL . 57.7 ttt180 -97.04 -56.43 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ILE . . . . . 0.409 HG23 ' HG2' ' B' ' 524' ' ' GLN . 1.8 mt -77.99 -57.77 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 343' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 343' ' ' LEU . 3.9 mm? -65.34 -20.63 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.416 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -63.9 172.03 16.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 41.57 61.18 8.15 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -73.74 -21.58 18.78 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.746 2.298 . . . . 0.0 112.078 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -170.71 58.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.534 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.34 167.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.596 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 16.2 mmt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.76 -37.02 12.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.423 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -44.89 -56.95 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.499 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.5 -34.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.672 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -61.11 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.732 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 504' ' ' LEU . . . . . 0.701 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.8 mt -57.59 -45.67 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.01 -44.37 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.543 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.24 -52.29 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 507' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.8 mt -54.47 -50.06 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 508' ' ' VAL . . . . . 0.701 HG23 ' O ' ' B' ' 504' ' ' LEU . 52.1 t -55.86 -46.31 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.407 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.11 -42.05 97.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 510' ' ' LEU . . . . . 0.439 ' O ' HD13 ' B' ' 510' ' ' LEU . 0.2 OUTLIER -53.39 -58.32 7.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 511' ' ' HIS . . . . . 0.632 ' CE1' HD11 ' B' ' 547' ' ' LEU . 0.1 OUTLIER -58.15 -49.17 77.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.63 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -47.4 21.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.737 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -73.21 -45.94 53.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.71 -25.05 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.716 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 14.0 ttm -73.83 -25.54 60.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -84.99 -20.02 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.83 161.71 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -131.45 9.75 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -85.37 99.41 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -72.13 -31.49 66.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.41 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.58 -32.96 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 523' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.7 mm? -62.27 -37.4 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 524' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 342' ' ' ILE . 33.9 mt-30 -62.74 -47.04 85.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -40.79 85.77 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 35.7 mt -58.1 -50.29 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 527' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 523' ' ' LEU . 85.2 t -42.13 -45.61 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -62.21 -40.96 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.162 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 529' ' ' LEU . . . . . 0.464 HD11 ' NZ ' ' B' ' 557' ' ' LYS . 0.4 OUTLIER -57.91 -35.21 70.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 10.3 mm -71.09 -36.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.933 0.397 . . . . 0.0 110.412 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -70.4 -31.2 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.87 -48.3 81.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.5 t -72.61 3.82 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.92 29.79 0.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.4 96.63 5.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.754 0.311 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -173.91 -173.63 0.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -143.89 100.86 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 538' ' ' ILE . . . . . 0.446 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.1 tt -93.88 129.35 44.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.681 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.416 ' N ' ' O ' ' B' ' 542' ' ' THR . 24.2 m -96.3 153.06 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.85 -0.61 5.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.95 4.49 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.572 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 542' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.96 168.13 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.422 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -126.9 112.35 15.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.26 158.6 33.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 545' ' ' PHE . . . . . 0.687 ' CE1' HD11 ' A' ' 337' ' ' ILE . 4.5 p90 -156.38 144.46 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.434 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 546' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -87.27 138.13 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 547' ' ' LEU . . . . . 0.632 HD11 ' CE1' ' B' ' 511' ' ' HIS . 3.8 mm? -79.88 -34.28 39.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.05 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.06 0.96 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 549' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 59.2 p -100.7 -19.49 16.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.258 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 551' ' ' ASP . 21.6 mt -73.63 115.26 12.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.534 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.458 ' O ' HG23 ' B' ' 555' ' ' VAL . 0.5 OUTLIER -53.81 -168.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 552' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -75.66 -33.47 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.9 m -53.48 -57.04 12.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 554' ' ' THR . . . . . 0.405 HG22 HD12 ' B' ' 529' ' ' LEU . 0.0 OUTLIER -60.21 -57.6 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.726 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 555' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 551' ' ' ASP . 96.0 t -44.89 -41.35 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -67.28 -44.3 79.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.596 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 557' ' ' LYS . . . . . 0.464 ' NZ ' HD11 ' B' ' 529' ' ' LEU . 0.1 OUTLIER -58.36 -35.5 72.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.49 -50.02 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.464 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -34.48 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -46.17 46.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.56 -46.18 27.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.439 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.4 mt -63.49 -33.81 76.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -81.19 -83.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.72 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 11.0 t -81.21 175.44 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.62 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 50.7 m 46.31 76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.695 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 166.32 55.9 0.03 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 567' ' ' THR . . . . . 0.419 ' O ' HG23 ' B' ' 567' ' ' THR . 10.0 t -103.99 130.51 51.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.724 0.297 . . . . 0.0 110.613 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.611 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 42.41 -108.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 92.09 130.06 4.97 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . 172.57 -96.0 0.11 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -144.19 57.0 4.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.724 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.2 157.29 57.65 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.772 2.315 . . . . 0.0 112.056 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 t -101.61 160.06 14.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.54 HD23 ' CB ' ' B' ' 547' ' ' LEU . 5.1 tp -155.66 100.54 2.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.431 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 51.8 mt -133.19 141.89 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.062 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.695 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -120.36 128.92 53.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.488 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 46.2 mtm-85 -96.18 131.69 42.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.462 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.775 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.5 OUTLIER -129.52 89.82 45.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.055 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.78 120.88 7.14 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.216 1.944 . . . . 0.0 112.255 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 28.7 m -51.58 -29.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.1 -13.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -97.59 -57.37 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 527' ' ' VAL . 3.1 mt -68.87 -58.93 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 343' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.4 mm? -67.51 -51.26 53.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 83.0 -116.34 4.19 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 345' ' ' ASP . 1.1 p-10 -167.19 74.26 1.03 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.24 118.5 4.65 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.84 2.36 . . . . 0.0 112.077 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.63 50.57 0.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.641 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -4.05 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.686 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 13.6 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 500' ' ' ASP . 0.0 OUTLIER -149.42 -51.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -139.17 -34.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.656 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.05 -60.27 1.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.547 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -46.2 -50.51 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.486 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 504' ' ' LEU . . . . . 0.675 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.3 mp -62.94 -40.1 96.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.434 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -44.79 95.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 507' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' B' ' 547' ' ' LEU . 12.3 mt -62.5 -48.87 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.678 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 508' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 504' ' ' LEU . 18.5 t -61.45 -43.24 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.12 -43.76 98.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.407 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.83 -49.63 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 511' ' ' HIS . . . . . 0.695 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -53.94 -47.01 71.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 512' ' ' ARG . . . . . 0.468 HH11 ' CG ' ' B' ' 512' ' ' ARG . 0.7 OUTLIER -56.24 -48.36 76.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -68.02 -42.13 81.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 514' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' B' ' 516' ' ' THR . 0.8 OUTLIER -61.07 -44.93 96.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 7.3 mtt -54.23 -9.02 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.533 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 516' ' ' THR . . . . . 0.454 ' H ' ' C ' ' B' ' 514' ' ' LEU . 3.5 m -99.24 -20.62 16.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 138.69 53.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.485 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 518' ' ' ARG . . . . . 0.402 HH11 ' HB2' ' B' ' 518' ' ' ARG . 18.2 mtp-105 -121.81 -31.22 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.438 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -45.77 118.26 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -74.61 -43.25 56.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -44.94 -57.54 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.9 -33.42 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.528 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 523' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 527' ' ' VAL . 3.1 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.704 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -58.89 -48.47 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.386 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.3 -42.88 82.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 49.1 mt -57.24 -50.74 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 527' ' ' VAL . . . . . 0.551 HG21 HG21 ' A' ' 342' ' ' ILE . 57.8 t -43.34 -45.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.477 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.22 -47.01 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -38.65 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.459 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 36.7 mm -70.22 -47.67 65.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.153 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 531' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 527' ' ' VAL . 0.3 OUTLIER -59.24 -23.28 62.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.98 -51.38 55.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 1.8 t -73.21 3.57 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.77 29.24 0.49 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -116.47 99.0 6.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.704 0.288 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -174.67 -177.27 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.627 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.34 101.49 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.421 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 538' ' ' ILE . . . . . 0.52 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -88.19 124.57 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.79 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.434 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.3 OUTLIER -83.17 156.2 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.5 -24.88 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 541' ' ' THR . . . . . 0.436 ' C ' ' HG1' ' B' ' 542' ' ' THR . 11.2 p -134.6 23.79 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 542' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.22 168.74 11.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -132.85 114.56 14.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -132.65 154.72 49.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.783 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 545' ' ' PHE . . . . . 0.775 ' CE1' HD11 ' A' ' 337' ' ' ILE . 5.2 p90 -142.9 140.43 31.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.349 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.81 135.74 34.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 547' ' ' LEU . . . . . 0.54 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.8 mm? -76.18 -39.5 54.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 7.26 2.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 26.6 t -107.38 -22.97 12.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.5 mt -73.45 124.17 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 553' ' ' THR . 0.0 OUTLIER -64.99 151.82 44.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.907 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 552' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -42.5 -17.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.753 178.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 553' ' ' THR . . . . . 0.541 ' N ' ' O ' ' B' ' 551' ' ' ASP . 6.4 m -67.22 -57.72 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.562 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -43.97 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.312 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 65.5 t -50.25 -47.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -60.82 -43.83 97.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.14 -42.27 99.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.598 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.27 -39.29 82.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.751 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.05 -37.22 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.422 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 53.6 p -71.43 -38.4 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.583 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.14 -45.65 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.6 -45.21 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.624 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -47.22 -72.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.39 140.5 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 49.3 m -147.3 -8.63 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 69.2 139.54 0.1 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 12.7 t -101.88 146.3 28.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.599 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.605 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 65.78 52.44 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.55 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -140.37 -87.31 0.13 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -72.26 -172.09 18.26 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.06 160.17 55.76 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 0.0 110.714 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.95 173.72 8.86 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.785 2.323 . . . . 0.0 111.766 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 65.8 p -128.22 157.77 39.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.72 HD23 ' CB ' ' B' ' 547' ' ' LEU . 6.2 tp -151.59 100.41 2.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.446 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.5 141.89 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' B' ' 511' ' ' HIS . . . -117.28 126.91 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.27 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 336' ' ' ARG . 28.3 ptt-85 -109.52 123.85 50.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.66 89.87 38.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.2 121.55 4.6 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.491 2.127 . . . . 0.0 112.415 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 341' ' ' ARG . 35.0 m -44.55 -39.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 340' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 339' ' ' VAL . . . -45.67 -16.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 339' ' ' VAL . 1.1 ttt-85 -93.08 -57.46 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.18 -58.61 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.305 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? -70.83 4.14 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.528 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -49.32 123.37 11.77 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 345' ' ' ASP . 10.1 p30 -170.09 63.19 0.45 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.539 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -77.08 116.15 4.14 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.758 2.305 . . . . 0.0 112.111 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -142.05 42.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.87 -3.56 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 499' ' ' MET . . . . . 0.421 ' O ' ' O ' ' B' ' 500' ' ' ASP . 3.0 mtp . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' B' ' 502' ' ' ALA . 13.1 t70 58.55 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 25.2 mttm 60.88 -1.6 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.79 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 502' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' B' ' 500' ' ' ASP . . . -54.87 -46.98 74.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.638 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -53.67 -51.03 64.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.648 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 504' ' ' LEU . . . . . 0.607 ' O ' HG23 ' B' ' 508' ' ' VAL . 7.9 mt -69.97 -39.35 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -60.6 -46.24 90.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.15 -48.57 81.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 507' ' ' LEU . . . . . 0.573 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.3 mt -54.87 -47.37 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 508' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 504' ' ' LEU . 39.6 t -64.96 -47.33 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.489 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.31 -61.66 2.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.442 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 511' ' ' HIS . . . . . 0.868 ' CE1' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -48.61 -45.21 37.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -57.41 -47.49 81.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.662 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -70.27 -30.13 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.39 -38.16 77.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 3.6 mmt -60.91 -13.83 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 4.2 m -93.01 -34.23 13.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.63 153.44 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.618 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -136.94 8.82 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.31 107.51 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.545 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -55.47 26.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.95 -62.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 53.0 mt -50.43 -33.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 523' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.2 tp -64.5 -47.54 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.66 -42.36 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.7 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.2 -45.32 92.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.255 0.55 . . . . 0.0 110.474 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.97 -53.96 28.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 527' ' ' VAL . . . . . 0.588 HG13 ' CE2' ' B' ' 543' ' ' PHE . 39.3 t -42.21 -50.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.481 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -54.72 -41.52 70.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.205 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.53 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 6.9 mm -67.65 -24.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.391 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.31 -31.88 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -64.91 -37.37 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 533' ' ' THR . . . . . 0.417 ' H ' HG22 ' B' ' 533' ' ' THR . 2.2 t -72.69 1.61 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.47 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 42.01 29.48 0.59 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 101.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.784 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -175.31 -174.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.34 101.59 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 538' ' ' ILE . . . . . 0.511 HG23 ' O ' ' B' ' 538' ' ' ILE . 0.9 OUTLIER -96.68 124.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.436 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.1 OUTLIER -90.58 150.76 21.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.385 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -2.24 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.752 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 541' ' ' THR . . . . . 0.436 ' C ' ' HG1' ' B' ' 542' ' ' THR . 0.6 OUTLIER -140.17 6.64 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.563 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 542' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.19 168.65 11.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 543' ' ' PHE . . . . . 0.588 ' CE2' HG13 ' B' ' 527' ' ' VAL . 5.7 t80 -135.85 117.15 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.612 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.59 163.32 32.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 545' ' ' PHE . . . . . 0.495 ' N ' ' CD1' ' B' ' 545' ' ' PHE . 8.1 p90 -148.47 147.46 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.399 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.14 116.88 28.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 547' ' ' LEU . . . . . 0.72 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.9 mm? -61.25 -35.36 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 548' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' B' ' 549' ' ' SER . 0.5 OUTLIER -67.37 -39.72 85.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 549' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' B' ' 548' ' ' CYS . 15.1 m -72.92 -22.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.36 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.522 HD12 ' HB ' ' B' ' 554' ' ' THR . 0.5 OUTLIER -63.07 147.02 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.625 ' O ' HG23 ' B' ' 555' ' ' VAL . 0.1 OUTLIER -85.15 -175.28 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 552' ' ' LYS . . . . . 0.459 ' HD2' ' H ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -77.9 -34.0 51.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 553' ' ' THR . . . . . 0.697 HG23 ' N ' ' B' ' 554' ' ' THR . 7.1 t -47.86 -56.68 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.536 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 554' ' ' THR . . . . . 0.697 ' N ' HG23 ' B' ' 553' ' ' THR . 4.5 m -61.91 -51.33 68.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 555' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 551' ' ' ASP . 85.0 t -45.12 -44.21 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -62.9 -45.87 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.79 -38.07 89.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.96 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -58.46 -36.7 74.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.09 -41.51 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.31 -38.76 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.643 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.5 mt -73.59 -42.96 60.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.29 -6.51 1.52 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.584 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 564' ' ' THR . . . . . 0.407 HG23 ' N ' ' B' ' 565' ' ' SER . 10.6 t -48.47 -35.9 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 565' ' ' SER . . . . . 0.407 ' N ' HG23 ' B' ' 564' ' ' THR . 0.5 OUTLIER -60.06 126.37 27.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 63.38 139.93 0.01 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 39.7 p -139.83 45.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 110.473 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 326' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 327' ' ' GLN . 13.5 t . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 326' ' ' THR . 8.1 pt20 -44.8 169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.7 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 149.91 54.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.32 -47.55 43.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' ARG . . . . . 0.67 HH11 ' H ' ' A' ' 330' ' ' ARG . 0.0 OUTLIER -148.57 70.58 10.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 110.605 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.19 161.62 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.916 2.411 . . . . 0.0 111.966 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.2 t -101.53 80.66 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.682 HD13 HG22 ' B' ' 508' ' ' VAL . 0.7 OUTLIER -77.87 104.43 8.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.348 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 141.22 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -119.57 135.29 54.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.526 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 8.8 ptt-85 -107.26 134.23 50.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.1 OUTLIER -130.52 89.91 42.54 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -49.71 120.99 6.56 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.312 2.008 . . . . 0.0 111.976 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 341' ' ' ARG . 0.1 OUTLIER -47.51 -38.12 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.24 -8.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.409 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.762 ' NH2' HD23 ' B' ' 523' ' ' LEU . 23.6 ttp180 -97.49 -57.9 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ILE . . . . . 0.564 HG21 HG21 ' B' ' 527' ' ' VAL . 5.2 mt -75.28 -58.88 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 343' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? -68.03 -54.33 19.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 99.8 -103.88 2.75 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -162.12 64.18 1.63 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.675 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -76.06 142.06 24.34 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.762 2.308 . . . . 0.0 112.064 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -138.17 41.35 2.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.502 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.02 -3.28 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 349' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.556 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.35 178.96 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -57.53 -29.64 64.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -41.15 -62.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.572 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 503' ' ' TYR . . . . . 0.423 ' CD2' HD12 ' B' ' 504' ' ' LEU . 16.4 t80 -45.68 -45.83 14.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.614 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 504' ' ' LEU . . . . . 0.536 ' O ' HG23 ' B' ' 508' ' ' VAL . 6.6 mp -68.02 -38.79 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.551 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.2 -46.5 88.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 507' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.1 mt -54.96 -51.78 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 508' ' ' VAL . . . . . 0.682 HG22 HD13 ' A' ' 333' ' ' LEU . 26.8 t -58.9 -56.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -53.49 -43.59 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.75 -54.24 47.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 511' ' ' HIS . . . . . 0.464 ' CE1' HD11 ' B' ' 547' ' ' LEU . 0.2 OUTLIER -61.95 -35.2 77.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.678 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -57.96 -45.06 87.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -69.6 -43.1 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.58 -38.92 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -7.35 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.512 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 6.6 m -99.6 -24.9 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.66 162.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -129.66 7.24 5.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -93.31 103.6 15.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -69.02 -32.79 72.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -53.43 58.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -33.82 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 523' ' ' LEU . . . . . 0.762 HD23 ' NH2' ' A' ' 341' ' ' ARG . 2.5 mp -66.5 -45.37 79.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.472 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 524' ' ' GLN . . . . . 0.442 ' HG2' HG23 ' A' ' 342' ' ' ILE . 96.6 mt-30 -57.1 -38.45 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -65.04 -43.46 92.31 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 84.2 mt -55.44 -41.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 527' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 342' ' ' ILE . 64.7 t -46.52 -41.03 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.275 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -44.32 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.236 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 36.6 tp -52.81 -39.47 62.42 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.966 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.6 -48.5 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.519 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.43 -27.44 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.32 -52.71 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.7 t -73.44 3.87 5.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 40.24 29.36 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -117.63 99.91 7.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.726 0.298 . . . . 0.0 110.708 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -174.29 -175.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 537' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -137.61 100.86 4.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.264 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.09 133.28 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.406 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -98.0 153.31 18.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.334 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.84 -9.58 30.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.651 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 541' ' ' THR . . . . . 0.434 ' C ' ' HG1' ' B' ' 542' ' ' THR . 45.7 p -140.45 13.83 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 542' ' ' THR . . . . . 0.434 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.15 168.55 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.54 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.15 112.52 11.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 544' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -129.36 165.99 20.4 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.447 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 545' ' ' PHE . . . . . 0.579 ' CE1' HD11 ' A' ' 337' ' ' ILE . 7.0 p90 -163.16 144.44 9.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 546' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 0.0 OUTLIER -92.98 141.07 28.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.851 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 547' ' ' LEU . . . . . 0.547 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -74.81 -38.37 62.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.592 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 548' ' ' CYS . . . . . 0.492 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.3 OUTLIER -73.13 5.41 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 16.5 t -103.34 -28.28 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.401 HD13 HG21 ' B' ' 554' ' ' THR . 21.1 mt -67.42 151.48 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.626 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.88 152.2 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.499 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 552' ' ' LYS . . . . . 0.54 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -41.06 -43.06 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 81.3 m -47.72 -54.25 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 554' ' ' THR . . . . . 0.401 HG21 HD13 ' B' ' 550' ' ' LEU . 3.8 m -63.82 -47.99 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.679 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 555' ' ' VAL . . . . . 0.52 HG22 HD21 ' B' ' 507' ' ' LEU . 57.5 t -56.22 -32.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.751 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 33.0 mmt-85 -70.37 -45.6 65.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.788 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -61.48 -35.23 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.77 -46.27 82.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.388 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -54.33 -39.22 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 8.4 m -70.23 -41.83 73.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.685 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.37 -51.51 34.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.642 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.37 -48.48 65.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.615 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 563' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' B' ' 563' ' ' GLU . 0.1 OUTLIER -65.6 -50.47 64.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.712 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 67.5 p -71.56 85.07 0.86 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.641 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 23.2 t -146.04 77.77 1.5 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.439 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -71.06 77.38 0.56 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 82.8 p -107.6 91.22 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.543 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.52 -1.44 53.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -166.75 -104.5 0.18 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . 144.08 -125.81 2.56 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.82 61.95 44.58 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.784 0.326 . . . . 0.0 110.729 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -75.01 139.58 24.43 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.643 2.229 . . . . 0.0 112.067 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.23 162.03 13.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.438 HD23 ' CB ' ' B' ' 547' ' ' LEU . 3.8 tp -147.75 100.01 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.259 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.64 141.84 43.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' ALA . . . . . 0.8 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -115.95 131.02 57.06 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.536 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -101.54 128.84 47.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.123 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.2 OUTLIER -127.96 89.61 49.94 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.89 121.35 8.56 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.118 1.879 . . . . 0.0 111.875 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' VAL . . . . . 0.439 ' C ' ' N ' ' A' ' 341' ' ' ARG . 29.7 m -46.13 -32.87 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.19 -10.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 339' ' ' VAL . 4.3 ttt180 -97.52 -56.61 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ILE . . . . . 0.477 HG21 HG21 ' B' ' 527' ' ' VAL . 4.0 mt -73.15 -59.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.331 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 343' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.3 mm? -65.45 -36.34 83.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.624 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -89.73 82.04 1.42 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.95 155.37 15.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.55 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.64 128.85 18.78 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.577 2.185 . . . . 0.0 112.175 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -173.58 44.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.3 -165.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.48 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.606 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.34 42.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.467 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -103.73 -37.19 7.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.88 -45.58 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.808 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -61.55 -49.61 75.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 504' ' ' LEU . . . . . 0.652 ' O ' HG23 ' B' ' 508' ' ' VAL . 10.9 mp -65.98 -39.55 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.733 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.0 -47.64 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.457 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.4 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 507' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' B' ' 547' ' ' LEU . 8.0 mt -54.29 -47.52 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.51 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 508' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 504' ' ' LEU . 42.2 t -62.51 -47.48 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.07 -41.0 70.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.08 -60.6 3.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 511' ' ' HIS . . . . . 0.8 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -46.37 -39.56 10.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -63.97 -51.6 63.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -58.39 -23.87 58.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.1 mt -86.75 -49.08 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 11.0 mtt -47.75 -21.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 17.1 p -95.82 -36.69 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.487 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 517' ' ' LEU . . . . . 0.518 HD23 ' HG2' ' B' ' 519' ' ' GLU . 1.3 mp -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 518' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' B' ' 520' ' ' ARG . 10.6 tpp180 -132.85 9.83 4.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 519' ' ' GLU . . . . . 0.518 ' HG2' HD23 ' B' ' 517' ' ' LEU . 0.5 OUTLIER -48.92 89.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.55 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 520' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' B' ' 518' ' ' ARG . 0.5 OUTLIER -75.04 -38.18 61.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.717 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.3 -53.78 45.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.707 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.24 -30.41 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 523' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 337' ' ' ILE . 11.3 tp -57.54 -41.38 80.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.781 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.75 -30.93 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -77.54 -35.17 53.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.466 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 526' ' ' ILE . . . . . 0.466 HG23 HD21 ' B' ' 558' ' ' LEU . 56.7 mt -62.28 -48.42 88.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.583 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 527' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 342' ' ' ILE . 26.3 t -42.28 -41.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.43 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.15 -49.64 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -27.96 17.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.503 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 4.1 mm -78.09 -52.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -28.91 9.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.286 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.88 -54.14 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 533' ' ' THR . . . . . 0.446 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.6 t -72.89 -0.12 12.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.31 27.53 1.2 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 535' ' ' HIS . . . . . 0.446 ' H ' HG23 ' B' ' 533' ' ' THR . 5.5 m80 -113.84 97.27 6.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 0.0 110.781 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -172.0 -175.42 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 537' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -140.86 101.79 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 538' ' ' ILE . . . . . 0.508 HG23 ' O ' ' B' ' 538' ' ' ILE . 0.9 OUTLIER -91.27 124.79 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.684 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -83.27 156.33 23.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.541 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -28.88 66.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.723 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 60.6 p -132.45 24.32 4.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 542' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.22 167.46 16.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.2 121.0 22.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 544' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.8 OUTLIER -140.85 160.7 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 -179.643 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 545' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' A' ' 337' ' ' ILE . 5.7 p90 -151.8 137.88 18.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.567 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 546' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 2.2 t0 -82.04 138.54 34.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 547' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -79.06 -36.01 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 548' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 8.5 t -77.38 11.35 2.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 2.3 m -108.58 -28.71 9.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.652 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.04 143.06 52.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.524 ' O ' HG23 ' B' ' 555' ' ' VAL . 9.9 m-20 -78.95 -169.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.472 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 552' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -72.15 -35.13 68.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.704 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 553' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' B' ' 554' ' ' THR . 0.4 OUTLIER -54.7 -57.56 11.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 554' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' B' ' 553' ' ' THR . 0.0 OUTLIER -61.25 -46.9 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 555' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 551' ' ' ASP . 78.1 t -54.81 -42.05 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.926 0.393 . . . . 0.0 110.588 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 556' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' B' ' 556' ' ' ARG . 0.0 OUTLIER -64.32 -44.02 92.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -63.6 -40.36 96.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 558' ' ' LEU . . . . . 0.466 HD21 HG23 ' B' ' 526' ' ' ILE . 96.5 mt -64.7 -43.83 92.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.421 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 560' ' ' SER . . . . . 0.463 ' O ' HG22 ' B' ' 564' ' ' THR . 1.8 t -65.32 -42.58 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.32 -47.59 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.86 -40.58 97.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 563' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' B' ' 565' ' ' SER . 28.1 mt-10 -62.05 -91.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.489 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 564' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 560' ' ' SER . 0.0 OUTLIER -45.54 92.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.36 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 565' ' ' SER . . . . . 0.476 ' N ' ' O ' ' B' ' 563' ' ' GLU . 6.7 t -121.8 62.63 0.93 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.594 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -71.48 -88.09 0.13 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 567' ' ' THR . . . . . 0.413 ' H ' HG22 ' B' ' 567' ' ' THR . 0.0 OUTLIER -66.58 120.19 13.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.369 . . . . 0.0 110.634 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.548 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.758 0.313 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.618 HD13 HG22 ' B' ' 508' ' ' VAL . 0.7 OUTLIER -82.58 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.419 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 45.7 mt -125.3 140.25 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.561 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -118.87 129.56 55.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -106.13 126.74 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.426 ' CG2' HD11 ' A' ' 342' ' ' ILE . 29.0 mt -131.27 92.88 31.26 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.132 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -46.9 121.05 4.61 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.354 2.036 . . . . 0.0 112.158 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 34.0 m -47.35 -27.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.04 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -97.61 -51.69 4.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' ILE . . . . . 0.426 HD11 ' CG2' ' A' ' 337' ' ' ILE . 4.1 mt -78.2 -59.09 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.741 0.305 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 504' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 508' ' ' VAL . 4.4 mt -55.57 -35.98 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -48.89 77.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.35 -49.52 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 507' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.1 mt -50.56 -47.17 57.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 508' ' ' VAL . . . . . 0.618 HG22 HD13 ' A' ' 333' ' ' LEU . 57.8 t -63.75 -49.95 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.53 -41.73 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.16 -61.56 2.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.522 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 511' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -40.74 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 512' ' ' ARG . . . . . 0.421 ' O ' HG23 ' B' ' 516' ' ' THR . 20.3 mtp180 -56.71 -49.71 74.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.627 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.74 -38.62 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.7 tpt -57.42 -10.77 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 516' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 512' ' ' ARG . 3.2 p -100.06 -25.34 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.95 162.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -131.52 6.76 4.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 519' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' B' ' 519' ' ' GLU . 8.7 mp0 -85.29 111.81 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -74.99 -38.84 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.675 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -55.1 28.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.3 mt -54.35 -32.77 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 523' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.0 OUTLIER -64.01 -41.62 97.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.737 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -59.71 -45.4 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 525' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' B' ' 525' ' ' GLN . 0.6 OUTLIER -58.96 -45.88 89.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 110.527 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 526' ' ' ILE . . . . . 0.419 HG23 HD21 ' B' ' 558' ' ' LEU . 48.3 mt -55.19 -50.2 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.374 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 527' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 523' ' ' LEU . 61.4 t -45.93 -47.06 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.519 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -58.64 -39.69 81.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 529' ' ' LEU . . . . . 0.461 HD21 ' HD3' ' B' ' 557' ' ' LYS . 0.3 OUTLIER -58.16 -39.63 79.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 9.5 mm -67.13 -35.71 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.416 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.51 -27.88 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.569 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.58 -44.33 87.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 533' ' ' THR . . . . . 0.451 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.8 t -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.76 27.78 1.48 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 535' ' ' HIS . . . . . 0.451 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -124.53 100.84 6.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.747 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -175.07 -177.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.727 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 537' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' B' ' 544' ' ' ASP . 2.0 t60 -137.23 101.31 4.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . 0.478 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.1 tt -93.61 127.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.852 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.5 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -88.16 153.66 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.441 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -65.09 -10.5 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.6 13.55 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.6 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 542' ' ' THR . . . . . 0.5 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.3 167.01 12.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -131.33 120.08 22.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -139.5 152.72 47.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -151.4 146.32 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.643 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . 0.446 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.32 140.24 31.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.95 -37.66 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 548' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 48.9 t -77.44 6.75 6.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 549' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 36.4 p -104.48 -27.94 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 39.3 mt -57.98 164.51 2.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' B' ' 551' ' ' ASP . 0.4 OUTLIER -98.17 168.89 9.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 552' ' ' LYS . . . . . 0.422 ' H ' ' CD ' ' B' ' 552' ' ' LYS . 0.2 OUTLIER -52.45 -40.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 10.2 m -53.87 -55.74 24.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -60.04 4.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.725 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 58.7 t -48.22 -39.98 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -44.83 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' B' ' 529' ' ' LEU . 0.7 OUTLIER -62.75 -36.55 83.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.426 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 526' ' ' ILE . 96.1 mt -63.35 -43.17 98.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -60.61 -40.3 91.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -32.34 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.6 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.08 -50.74 72.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.461 0.084 0 CA-C-O 120.875 0.369 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' B' ' 547' ' ' LEU . 4.0 tp -151.98 100.09 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.35 141.79 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.869 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -118.96 130.88 55.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -106.77 123.78 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 342' ' ' ILE . 23.9 mt -125.87 89.87 51.52 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.219 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -46.98 123.26 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.281 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.458 ' C ' ' N ' ' A' ' 341' ' ' ARG . 1.2 m -42.25 -37.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.571 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -50.46 -11.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 339' ' ' VAL . 32.3 ttm180 -97.47 -55.93 2.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' ILE . . . . . 0.45 HG21 HG21 ' B' ' 527' ' ' VAL . 4.1 mt -74.6 -55.34 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.571 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.799 0.333 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 504' ' ' LEU . . . . . 0.597 ' O ' HG23 ' B' ' 508' ' ' VAL . 3.0 mt -57.51 -48.54 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.631 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -46.82 66.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 506' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 559' ' ' GLN . 3.0 mm-40 -59.02 -50.95 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 507' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.0 mt -54.31 -44.44 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 508' ' ' VAL . . . . . 0.597 HG23 ' O ' ' B' ' 504' ' ' LEU . 39.6 t -64.56 -49.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.476 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.77 -44.23 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.35 -59.97 4.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 511' ' ' HIS . . . . . 0.869 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.5 OUTLIER -50.26 -37.87 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -50.98 71.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -63.27 -34.45 77.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -44.11 97.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 27.0 mtp -58.83 -12.74 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.1 m -95.04 -33.64 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.47 144.75 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 19.69 8.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.615 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -100.07 101.35 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -32.64 74.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.513 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -55.5 -40.17 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.23 -33.23 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 523' ' ' LEU . . . . . 0.775 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.8 mp -64.24 -41.7 96.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.574 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -55.73 -50.9 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.4 -45.13 92.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 31.7 mt -55.84 -53.12 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 527' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 523' ' ' LEU . 36.4 t -41.87 -43.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.34 -42.6 96.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -36.41 69.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 11.4 mm -71.75 -38.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.48 -26.92 65.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 533' ' ' THR . . . . . 0.412 HG23 ' H ' ' B' ' 535' ' ' HIS . 1.9 t -72.46 1.9 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 45.23 27.0 1.57 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 535' ' ' HIS . . . . . 0.412 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -116.19 97.17 5.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.662 0.267 . . . . 0.0 110.722 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -174.02 -176.72 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 537' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.0 OUTLIER -139.5 101.14 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.501 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.87 136.28 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.46 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -97.11 156.63 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.435 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -58.48 -23.63 58.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 1.2 p -139.66 25.56 2.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 542' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.33 165.64 15.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.577 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -134.98 115.18 13.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' B' ' 537' ' ' HIS . 6.8 p30 -136.9 149.25 47.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.479 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -142.54 144.51 32.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.01 138.95 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . 0.474 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.39 -35.56 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.357 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 11.19 3.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 549' ' ' SER . . . . . 0.411 ' CB ' ' OD2' ' B' ' 546' ' ' ASP . 28.3 m -106.77 -25.99 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 44.1 mt -71.43 143.68 50.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -83.88 -177.81 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 552' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' B' ' 556' ' ' ARG . 0.5 OUTLIER -63.8 -20.69 65.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 94.7 m -62.95 -56.88 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.516 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -56.72 8.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.736 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 94.9 t -43.09 -37.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.701 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' B' ' 552' ' ' LYS . 15.6 mmm180 -68.98 -48.34 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -60.87 -34.17 74.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.16 -44.56 72.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' B' ' 506' ' ' GLU . 24.0 mt-30 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 64.7 m -70.43 -43.72 69.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.2 -45.73 34.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.357 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.531 HD23 ' CB ' ' B' ' 547' ' ' LEU . 2.8 tp -137.78 102.96 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.439 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 2.7 mp -129.24 140.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.776 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.684 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -116.32 127.27 54.55 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.709 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 121.22 43.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.66 89.8 24.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.878 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -49.22 125.97 14.57 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.255 1.97 . . . . 0.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 341' ' ' ARG . 11.3 m -43.9 -38.23 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 339' ' ' VAL . . . -49.99 -10.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 339' ' ' VAL . 64.5 ttt180 -97.34 -53.2 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.752 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' ILE . . . . . 0.418 HG12 HG21 ' B' ' 527' ' ' VAL . 4.2 mt -77.65 -58.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.527 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.752 0.31 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 504' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.6 mt -60.97 -34.4 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.514 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -46.63 89.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -59.24 -54.22 49.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 507' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' B' ' 547' ' ' LEU . 5.6 mt -48.69 -51.75 26.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 508' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 504' ' ' LEU . 56.3 t -61.47 -48.48 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.3 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -40.81 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.85 -61.52 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 511' ' ' HIS . . . . . 0.684 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 1.3 t60 -49.09 -35.3 15.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.334 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -56.97 15.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.05 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -64.01 -25.02 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.727 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -43.05 88.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 28.7 mtt -54.73 -28.61 49.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 7.2 p -88.45 5.3 43.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.531 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.7 tp -82.32 120.85 25.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -95.19 -28.06 15.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.45 101.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -72.29 -31.17 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.57 -47.31 84.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.7 mt -60.2 -32.77 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 523' ' ' LEU . . . . . 0.741 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.2 tp -61.08 -39.84 91.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -60.52 -44.22 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -61.58 -46.07 91.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 51.6 mt -56.5 -51.84 60.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 527' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 523' ' ' LEU . 48.6 t -43.27 -45.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.464 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 529' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' B' ' 532' ' ' GLU . 5.9 tp -52.28 -61.56 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 109.904 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 530' ' ' ILE . . . . . 0.468 HG22 ' HB3' ' B' ' 536' ' ' PHE . 8.5 mm -45.99 -40.75 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.459 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 531' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' B' ' 536' ' ' PHE . 6.9 mm-40 -72.3 -27.51 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.186 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 532' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' B' ' 529' ' ' LEU . 26.9 tt0 -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 533' ' ' THR . . . . . 0.432 HG21 HG21 ' B' ' 554' ' ' THR . 2.3 t -72.9 3.05 5.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.438 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.78 25.7 5.09 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 535' ' ' HIS . . . . . 0.418 ' H ' HG23 ' B' ' 533' ' ' THR . 0.5 OUTLIER -123.47 101.03 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.68 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 536' ' ' PHE . . . . . 0.5 ' CZ ' ' OE1' ' B' ' 531' ' ' GLU . 51.4 p90 -174.1 -176.31 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.711 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.65 101.25 4.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . 0.558 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -93.52 119.15 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.652 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.476 ' N ' ' O ' ' B' ' 542' ' ' THR . 1.1 m -81.63 153.85 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.83 -8.13 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 81.1 p -140.19 11.82 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 542' ' ' THR . . . . . 0.476 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.31 168.17 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -133.08 117.83 18.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -139.02 161.59 37.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 545' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' B' ' 545' ' ' PHE . 6.3 p90 -152.31 142.99 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.677 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.52 111.25 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . 0.531 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.8 mm? -53.29 -32.29 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.432 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 548' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.0 OUTLIER -71.59 -11.57 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.521 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 549' ' ' SER . . . . . 0.403 ' OG ' ' ND1' ' B' ' 535' ' ' HIS . 16.3 t -100.65 25.74 7.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.649 HD12 ' HB ' ' B' ' 554' ' ' THR . 4.2 mm? -102.45 142.13 34.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.368 . . . . 0.0 110.629 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' B' ' 551' ' ' ASP . 0.7 OUTLIER -83.48 169.25 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.71 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 552' ' ' LYS . . . . . 0.563 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -55.86 -41.92 75.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.8 m -55.73 -56.83 15.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 554' ' ' THR . . . . . 0.649 ' HB ' HD12 ' B' ' 550' ' ' LEU . 9.4 p -51.74 -58.3 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.3 t -51.07 -44.47 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.638 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -44.77 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.534 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.368 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.78 -40.55 84.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.349 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -43.16 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.502 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -49.0 -46.67 44.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.636 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.724 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.787 0.327 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.659 HD13 HG22 ' B' ' 508' ' ' VAL . 1.0 OUTLIER -75.55 102.42 5.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.98 140.47 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.516 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -109.17 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -113.87 104.76 12.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.215 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.32 129.22 24.17 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.73 122.38 7.74 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.845 1.697 . . . . 0.0 112.219 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.422 ' H ' HG13 ' A' ' 339' ' ' VAL . 5.9 m -49.36 -27.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.653 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -97.68 -52.34 3.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.32 -58.26 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.539 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.441 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.79 0.329 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 504' ' ' LEU . . . . . 0.546 HD11 ' SG ' ' B' ' 548' ' ' CYS . 4.5 mp -71.75 -45.3 62.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -49.32 -45.52 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.95 -51.26 70.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 507' ' ' LEU . . . . . 0.652 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.8 mt -51.87 -50.32 61.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 508' ' ' VAL . . . . . 0.659 HG22 HD13 ' A' ' 333' ' ' LEU . 21.2 t -62.04 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.636 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.03 -53.83 52.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.623 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 511' ' ' HIS . . . . . 0.516 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.1 OUTLIER -61.19 -40.17 92.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.69 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -54.36 -42.57 70.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -66.36 -43.91 84.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 514' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' B' ' 517' ' ' LEU . 6.4 mp -49.56 -44.78 47.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.433 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.5 mmt -43.43 -23.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 516' ' ' THR . . . . . 0.425 ' N ' ' O ' ' B' ' 514' ' ' LEU . 24.3 m -93.0 -28.58 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.741 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 517' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 514' ' ' LEU . 0.9 OUTLIER -61.47 130.6 46.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.484 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 -30.09 9.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.7 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -68.92 -24.76 64.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -61.51 -59.9 4.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.364 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 69.7 mt -50.91 -33.74 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 523' ' ' LEU . . . . . 0.526 ' O ' HG23 ' B' ' 527' ' ' VAL . 0.9 OUTLIER -57.59 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.23 -46.34 65.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 0.0 110.701 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -59.62 -45.08 93.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.119 0.485 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.84 -55.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 527' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 523' ' ' LEU . 16.2 t -43.62 -42.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.416 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -42.9 91.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.186 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.07 -36.63 77.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 530' ' ' ILE . . . . . 0.456 HD12 HD13 ' B' ' 550' ' ' LEU . 7.8 mm -69.49 -34.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.926 0.393 . . . . 0.0 110.361 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -73.58 -30.38 62.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.603 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -44.91 96.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 533' ' ' THR . . . . . 0.4 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.2 t -73.65 4.06 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.623 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.17 26.52 4.73 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 535' ' ' HIS . . . . . 0.4 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -121.03 97.9 5.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.913 0.387 . . . . 0.0 110.778 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 536' ' ' PHE . . . . . 0.448 ' HB3' HG22 ' B' ' 530' ' ' ILE . 53.4 p90 -174.44 -179.23 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.785 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.1 101.83 4.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . 0.564 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.2 tt -88.99 119.08 35.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.439 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -86.68 154.95 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.447 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -54.44 -33.33 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.701 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 541' ' ' THR . . . . . 0.407 ' C ' ' HG1' ' B' ' 542' ' ' THR . 6.9 p -135.82 29.26 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.628 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 542' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.46 165.74 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -136.63 108.05 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -128.64 157.73 40.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 545' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 545' ' ' PHE . 11.6 p90 -160.99 151.53 18.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.64 140.62 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.987 0.422 . . . . 0.0 110.853 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . 0.652 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -76.25 -41.28 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 548' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' B' ' 504' ' ' LEU . 1.7 t -70.47 14.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 549' ' ' SER . . . . . 0.51 ' H ' ' C ' ' B' ' 547' ' ' LEU . 33.5 m -113.02 -28.02 7.85 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.456 HD13 HD12 ' B' ' 530' ' ' ILE . 13.8 mt -70.67 120.5 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.74 152.23 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.553 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 552' ' ' LYS . . . . . 0.582 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -45.17 -37.62 4.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 553' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' B' ' 554' ' ' THR . 1.0 OUTLIER -48.72 -56.69 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 554' ' ' THR . . . . . 0.463 ' N ' ' OG1' ' B' ' 553' ' ' THR . 7.3 m -60.06 -52.28 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.488 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . 0.406 HG22 HD21 ' B' ' 507' ' ' LEU . 55.6 t -46.18 -44.57 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.471 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -58.8 -48.7 80.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -56.21 -49.05 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 80.3 mt -55.43 -43.54 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -55.63 -38.25 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -41.53 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -47.76 -51.41 22.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.438 HD23 ' CB ' ' B' ' 547' ' ' LEU . 2.9 tp -141.52 102.43 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.61 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.64 141.28 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.763 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -122.14 131.31 53.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -112.03 133.03 54.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 4.8 mt -138.4 95.14 10.39 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.33 121.5 4.66 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.38 2.054 . . . . 0.0 112.372 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 341' ' ' ARG . 29.2 m -46.73 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -51.42 -11.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' A' ' 339' ' ' VAL . 1.2 ttt180 -97.06 -56.97 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.1 mt -71.72 -58.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.748 0.308 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 504' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 508' ' ' VAL . 2.8 mt -76.13 -48.4 20.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.494 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.73 -37.9 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.348 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.37 -48.16 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 507' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' B' ' 547' ' ' LEU . 6.4 mt -55.22 -40.4 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 508' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 504' ' ' LEU . 31.1 t -66.02 -44.44 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.345 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.58 -37.78 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.545 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.63 -56.97 14.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 511' ' ' HIS . . . . . 0.763 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -53.68 -42.06 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -57.03 -56.6 19.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 513' ' ' ARG . . . . . 0.433 ' CG ' HH11 ' B' ' 513' ' ' ARG . 5.2 mtt85 -57.51 -40.97 79.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.17 -44.86 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.524 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.57 -3.84 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.486 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.12 -21.26 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.526 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.13 147.96 51.58 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -38.16 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.537 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.12 112.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -73.86 -36.92 64.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -54.1 -34.5 60.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 1.6 mm -69.54 -35.07 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 523' ' ' LEU . . . . . 0.634 ' O ' HG23 ' B' ' 527' ' ' VAL . 4.5 mp -62.38 -38.72 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -60.43 -51.8 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -54.61 -43.08 71.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.572 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 43.0 mt -58.1 -50.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 527' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 523' ' ' LEU . 46.9 t -46.37 -41.53 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.19 -42.68 99.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 529' ' ' LEU . . . . . 0.447 HD11 ' CD ' ' B' ' 557' ' ' LYS . 0.4 OUTLIER -53.78 -36.57 62.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 12.2 mm -70.51 -43.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.289 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.11 -26.09 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.71 -50.41 69.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 533' ' ' THR . . . . . 0.448 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.5 t -72.14 3.42 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.435 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 43.45 26.12 0.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 535' ' ' HIS . . . . . 0.448 ' H ' HG23 ' B' ' 533' ' ' THR . 2.9 t-160 -116.89 97.71 6.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -172.51 -176.34 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 537' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' B' ' 544' ' ' ASP . 1.2 t60 -137.83 101.23 4.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . 0.48 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -92.13 127.41 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.946 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.486 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -81.77 156.07 25.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.334 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.7 -19.8 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 10.2 p -138.99 22.72 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 542' ' ' THR . . . . . 0.486 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.78 167.26 13.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -128.19 122.14 31.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.767 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 545' ' ' PHE . 6.4 t0 -138.39 151.58 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 545' ' ' PHE . . . . . 0.483 ' N ' ' OD1' ' B' ' 544' ' ' ASP . 9.1 p90 -150.29 141.59 23.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.374 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 8.9 t0 -84.12 139.97 32.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . 0.527 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.95 -36.25 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.75 9.36 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.699 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 549' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 77.9 p -107.69 -25.26 11.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.413 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.46 123.92 20.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 553' ' ' THR . 1.8 m-20 -64.54 152.95 40.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.262 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -18.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.693 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 553' ' ' THR . . . . . 0.528 ' N ' ' O ' ' B' ' 551' ' ' ASP . 5.9 m -65.29 -56.25 13.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.439 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.45 4.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.433 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 60.6 t -41.56 -44.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.657 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.876 0.369 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . 0.447 ' CD ' HD11 ' B' ' 529' ' ' LEU . 11.8 mttt -61.44 -49.29 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.01 -41.72 71.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -57.43 -41.35 80.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.196 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 64.8 p -69.23 -40.28 78.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -48.97 -49.36 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.811 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.708 0.29 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 1.4 tp -91.05 101.23 13.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.407 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 44.4 mt -128.06 140.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -124.13 133.23 53.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -101.8 141.62 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.243 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.687 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.5 OUTLIER -138.36 92.62 11.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.37 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.37 121.41 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.131 1.887 . . . . 0.0 112.298 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' A' ' 341' ' ' ARG . 15.5 m -47.65 -35.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.404 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.55 -8.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 339' ' ' VAL . 57.7 ttt180 -97.04 -56.43 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' ILE . . . . . 0.409 HG23 ' HG2' ' B' ' 524' ' ' GLN . 1.8 mt -77.99 -57.77 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 343' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.416 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.83 0.348 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 504' ' ' LEU . . . . . 0.701 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.8 mt -57.59 -45.67 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.01 -44.37 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.543 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.24 -52.29 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 507' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.8 mt -54.47 -50.06 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 508' ' ' VAL . . . . . 0.701 HG23 ' O ' ' B' ' 504' ' ' LEU . 52.1 t -55.86 -46.31 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.407 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.11 -42.05 97.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 510' ' ' LEU . . . . . 0.439 HD13 ' O ' ' B' ' 510' ' ' LEU . 0.2 OUTLIER -53.39 -58.32 7.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 511' ' ' HIS . . . . . 0.632 ' CE1' HD11 ' B' ' 547' ' ' LEU . 0.1 OUTLIER -58.15 -49.17 77.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.63 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -47.4 21.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.737 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -73.21 -45.94 53.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.71 -25.05 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.716 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 14.0 ttm -73.83 -25.54 60.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -84.99 -20.02 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.83 161.71 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -131.45 9.75 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -85.37 99.41 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -72.13 -31.49 66.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.41 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.58 -32.96 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 523' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.7 mm? -62.27 -37.4 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 524' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 342' ' ' ILE . 33.9 mt-30 -62.74 -47.04 85.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -40.79 85.77 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 35.7 mt -58.1 -50.29 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 527' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 523' ' ' LEU . 85.2 t -42.13 -45.61 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 528' ' ' ASN . . . . . 0.547 ' ND2' ' N ' ' B' ' 528' ' ' ASN . 0.7 OUTLIER -62.21 -40.96 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.162 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 529' ' ' LEU . . . . . 0.464 HD11 ' NZ ' ' B' ' 557' ' ' LYS . 0.4 OUTLIER -57.91 -35.21 70.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 10.3 mm -71.09 -36.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.933 0.397 . . . . 0.0 110.412 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -70.4 -31.2 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.87 -48.3 81.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.5 t -72.61 3.82 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.92 29.79 0.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.4 96.63 5.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.754 0.311 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -173.91 -173.63 0.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -143.89 100.86 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . 0.446 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.1 tt -93.88 129.35 44.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.681 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.416 ' N ' ' O ' ' B' ' 542' ' ' THR . 24.2 m -96.3 153.06 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.85 -0.61 5.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.95 4.49 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.572 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 542' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.96 168.13 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.422 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -126.9 112.35 15.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.26 158.6 33.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 545' ' ' PHE . . . . . 0.687 ' CE1' HD11 ' A' ' 337' ' ' ILE . 4.5 p90 -156.38 144.46 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.434 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -87.27 138.13 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . 0.632 HD11 ' CE1' ' B' ' 511' ' ' HIS . 3.8 mm? -79.88 -34.28 39.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.05 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.06 0.96 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 549' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 59.2 p -100.7 -19.49 16.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.258 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 551' ' ' ASP . 21.6 mt -73.63 115.26 12.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.534 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.458 ' O ' HG23 ' B' ' 555' ' ' VAL . 0.5 OUTLIER -53.81 -168.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 552' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -75.66 -33.47 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.9 m -53.48 -57.04 12.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 554' ' ' THR . . . . . 0.405 HG22 HD12 ' B' ' 529' ' ' LEU . 0.0 OUTLIER -60.21 -57.6 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.726 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 551' ' ' ASP . 96.0 t -44.89 -41.35 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -67.28 -44.3 79.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.596 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . 0.464 ' NZ ' HD11 ' B' ' 529' ' ' LEU . 0.1 OUTLIER -58.36 -35.5 72.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.49 -50.02 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.464 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -34.48 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -46.17 46.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.56 -46.18 27.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.439 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.849 0.356 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.54 HD23 ' CB ' ' B' ' 547' ' ' LEU . 5.1 tp -155.66 100.54 2.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.431 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 51.8 mt -133.19 141.89 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.062 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.695 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -120.36 128.92 53.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.488 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 46.2 mtm-85 -96.18 131.69 42.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.462 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.775 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.5 OUTLIER -129.52 89.82 45.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.055 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.78 120.88 7.14 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.216 1.944 . . . . 0.0 112.255 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 28.7 m -51.58 -29.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.1 -13.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -97.59 -57.37 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 527' ' ' VAL . 3.1 mt -68.87 -58.93 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.775 0.321 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 504' ' ' LEU . . . . . 0.675 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.3 mp -62.94 -40.1 96.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.434 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -44.79 95.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 507' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' B' ' 547' ' ' LEU . 12.3 mt -62.5 -48.87 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.678 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 508' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 504' ' ' LEU . 18.5 t -61.45 -43.24 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.12 -43.76 98.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.407 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.83 -49.63 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 511' ' ' HIS . . . . . 0.695 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -53.94 -47.01 71.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 512' ' ' ARG . . . . . 0.468 ' CG ' HH11 ' B' ' 512' ' ' ARG . 0.7 OUTLIER -56.24 -48.36 76.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -68.02 -42.13 81.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 514' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' B' ' 516' ' ' THR . 0.8 OUTLIER -61.07 -44.93 96.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 7.3 mtt -54.23 -9.02 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.533 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 516' ' ' THR . . . . . 0.454 ' H ' ' C ' ' B' ' 514' ' ' LEU . 3.5 m -99.24 -20.62 16.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 138.69 53.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.485 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 518' ' ' ARG . . . . . 0.402 HH11 ' HB2' ' B' ' 518' ' ' ARG . 18.2 mtp-105 -121.81 -31.22 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.438 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -45.77 118.26 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -74.61 -43.25 56.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -44.94 -57.54 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.9 -33.42 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.528 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 523' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 527' ' ' VAL . 3.1 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.704 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -58.89 -48.47 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.386 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.3 -42.88 82.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 49.1 mt -57.24 -50.74 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 527' ' ' VAL . . . . . 0.551 HG21 HG21 ' A' ' 342' ' ' ILE . 57.8 t -43.34 -45.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.477 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.22 -47.01 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -38.65 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.459 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 36.7 mm -70.22 -47.67 65.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.153 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 531' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 527' ' ' VAL . 0.3 OUTLIER -59.24 -23.28 62.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.98 -51.38 55.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 1.8 t -73.21 3.57 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.77 29.24 0.49 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -116.47 99.0 6.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.704 0.288 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -174.67 -177.27 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.627 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.34 101.49 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.421 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . 0.52 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -88.19 124.57 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.79 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.434 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.3 OUTLIER -83.17 156.2 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.5 -24.88 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 541' ' ' THR . . . . . 0.436 ' C ' ' HG1' ' B' ' 542' ' ' THR . 11.2 p -134.6 23.79 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 542' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.22 168.74 11.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -132.85 114.56 14.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -132.65 154.72 49.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.783 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 545' ' ' PHE . . . . . 0.775 ' CE1' HD11 ' A' ' 337' ' ' ILE . 5.2 p90 -142.9 140.43 31.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.349 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.81 135.74 34.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . 0.54 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.8 mm? -76.18 -39.5 54.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 7.26 2.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 26.6 t -107.38 -22.97 12.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.5 mt -73.45 124.17 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 553' ' ' THR . 0.0 OUTLIER -64.99 151.82 44.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.907 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 552' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -42.5 -17.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.753 178.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 553' ' ' THR . . . . . 0.541 ' N ' ' O ' ' B' ' 551' ' ' ASP . 6.4 m -67.22 -57.72 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.562 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -43.97 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.312 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 65.5 t -50.25 -47.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -60.82 -43.83 97.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.14 -42.27 99.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.598 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.27 -39.29 82.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.751 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.05 -37.22 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.422 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 53.6 p -71.43 -38.4 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.583 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.14 -45.65 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.624 -179.852 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 65.8 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.915 0.388 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.72 HD23 ' CB ' ' B' ' 547' ' ' LEU . 6.2 tp -151.59 100.41 2.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.446 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.5 141.89 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' B' ' 511' ' ' HIS . . . -117.28 126.91 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.27 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 336' ' ' ARG . 28.3 ptt-85 -109.52 123.85 50.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.66 89.87 38.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.2 121.55 4.6 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.491 2.127 . . . . 0.0 112.415 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 341' ' ' ARG . 35.0 m -44.55 -39.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 339' ' ' VAL . . . -45.67 -16.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 339' ' ' VAL . 1.1 ttt-85 -93.08 -57.46 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.18 -58.61 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.305 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.528 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 13.7 t80 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.776 0.322 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 504' ' ' LEU . . . . . 0.607 ' O ' HG23 ' B' ' 508' ' ' VAL . 7.9 mt -69.97 -39.35 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -60.6 -46.24 90.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.15 -48.57 81.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 507' ' ' LEU . . . . . 0.573 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.3 mt -54.87 -47.37 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 508' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 504' ' ' LEU . 39.6 t -64.96 -47.33 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.489 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.31 -61.66 2.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.442 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 511' ' ' HIS . . . . . 0.868 ' CE1' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -48.61 -45.21 37.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -57.41 -47.49 81.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.662 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -70.27 -30.13 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.39 -38.16 77.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 3.6 mmt -60.91 -13.83 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 4.2 m -93.01 -34.23 13.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.63 153.44 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.618 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -136.94 8.82 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.31 107.51 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.545 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -55.47 26.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.95 -62.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 53.0 mt -50.43 -33.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 523' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.2 tp -64.5 -47.54 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.66 -42.36 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.7 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.2 -45.32 92.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.255 0.55 . . . . 0.0 110.474 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.97 -53.96 28.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 527' ' ' VAL . . . . . 0.588 HG13 ' CE2' ' B' ' 543' ' ' PHE . 39.3 t -42.21 -50.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.481 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 528' ' ' ASN . . . . . 0.437 HD22 ' C ' ' B' ' 528' ' ' ASN . 0.2 OUTLIER -54.72 -41.52 70.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.205 179.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.53 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 6.9 mm -67.65 -24.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.391 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.31 -31.88 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -64.91 -37.37 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 533' ' ' THR . . . . . 0.417 ' H ' HG22 ' B' ' 533' ' ' THR . 2.2 t -72.69 1.61 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.47 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 42.01 29.48 0.59 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 101.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.784 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -175.31 -174.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.34 101.59 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . 0.511 HG23 ' O ' ' B' ' 538' ' ' ILE . 0.9 OUTLIER -96.68 124.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.436 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.1 OUTLIER -90.58 150.76 21.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.385 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -2.24 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.752 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 541' ' ' THR . . . . . 0.436 ' C ' ' HG1' ' B' ' 542' ' ' THR . 0.6 OUTLIER -140.17 6.64 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.563 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 542' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.19 168.65 11.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 543' ' ' PHE . . . . . 0.588 ' CE2' HG13 ' B' ' 527' ' ' VAL . 5.7 t80 -135.85 117.15 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.612 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.59 163.32 32.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 545' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' B' ' 545' ' ' PHE . 8.1 p90 -148.47 147.46 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.399 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.14 116.88 28.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . 0.72 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.9 mm? -61.25 -35.36 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 548' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' B' ' 549' ' ' SER . 0.5 OUTLIER -67.37 -39.72 85.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 549' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' B' ' 548' ' ' CYS . 15.1 m -72.92 -22.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.36 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.522 HD12 ' HB ' ' B' ' 554' ' ' THR . 0.5 OUTLIER -63.07 147.02 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.625 ' O ' HG23 ' B' ' 555' ' ' VAL . 0.1 OUTLIER -85.15 -175.28 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 552' ' ' LYS . . . . . 0.459 ' H ' ' HD2' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -77.9 -34.0 51.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 553' ' ' THR . . . . . 0.697 HG23 ' N ' ' B' ' 554' ' ' THR . 7.1 t -47.86 -56.68 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.536 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 554' ' ' THR . . . . . 0.697 ' N ' HG23 ' B' ' 553' ' ' THR . 4.5 m -61.91 -51.33 68.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 551' ' ' ASP . 85.0 t -45.12 -44.21 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -62.9 -45.87 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.79 -38.07 89.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.96 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -58.46 -36.7 74.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.09 -41.51 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.31 -38.76 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.643 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.845 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.824 0.345 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.682 HD13 HG22 ' B' ' 508' ' ' VAL . 0.7 OUTLIER -77.87 104.43 8.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.348 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 141.22 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -119.57 135.29 54.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.526 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 8.8 ptt-85 -107.26 134.23 50.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.1 OUTLIER -130.52 89.91 42.54 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -49.71 120.99 6.56 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.312 2.008 . . . . 0.0 111.976 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 341' ' ' ARG . 0.1 OUTLIER -47.51 -38.12 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.24 -8.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.409 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.762 ' NH2' HD23 ' B' ' 523' ' ' LEU . 23.6 ttp180 -97.49 -57.9 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' ILE . . . . . 0.564 HG21 HG21 ' B' ' 527' ' ' VAL . 5.2 mt -75.28 -58.88 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 503' ' ' TYR . . . . . 0.423 ' CD2' HD12 ' B' ' 504' ' ' LEU . 16.4 t80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.819 0.343 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 504' ' ' LEU . . . . . 0.536 ' O ' HG23 ' B' ' 508' ' ' VAL . 6.6 mp -68.02 -38.79 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.551 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.2 -46.5 88.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 507' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.1 mt -54.96 -51.78 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 508' ' ' VAL . . . . . 0.682 HG22 HD13 ' A' ' 333' ' ' LEU . 26.8 t -58.9 -56.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -53.49 -43.59 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.75 -54.24 47.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 511' ' ' HIS . . . . . 0.464 ' CE1' HD11 ' B' ' 547' ' ' LEU . 0.2 OUTLIER -61.95 -35.2 77.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.678 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -57.96 -45.06 87.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -69.6 -43.1 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.58 -38.92 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -7.35 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.512 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 6.6 m -99.6 -24.9 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.66 162.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -129.66 7.24 5.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -93.31 103.6 15.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -69.02 -32.79 72.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -53.43 58.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -33.82 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 523' ' ' LEU . . . . . 0.762 HD23 ' NH2' ' A' ' 341' ' ' ARG . 2.5 mp -66.5 -45.37 79.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.472 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 524' ' ' GLN . . . . . 0.442 ' HG2' HG23 ' A' ' 342' ' ' ILE . 96.6 mt-30 -57.1 -38.45 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -65.04 -43.46 92.31 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 84.2 mt -55.44 -41.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 527' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 342' ' ' ILE . 64.7 t -46.52 -41.03 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.275 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -44.32 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.236 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 36.6 tp -52.81 -39.47 62.42 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.966 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.6 -48.5 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.519 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.43 -27.44 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.32 -52.71 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.7 t -73.44 3.87 5.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 40.24 29.36 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -117.63 99.91 7.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.726 0.298 . . . . 0.0 110.708 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -174.29 -175.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 537' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -137.61 100.86 4.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.264 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.09 133.28 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.406 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -98.0 153.31 18.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.334 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.84 -9.58 30.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.651 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 541' ' ' THR . . . . . 0.434 ' C ' ' HG1' ' B' ' 542' ' ' THR . 45.7 p -140.45 13.83 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 542' ' ' THR . . . . . 0.434 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.15 168.55 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.54 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.15 112.52 11.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -129.36 165.99 20.4 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.447 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 545' ' ' PHE . . . . . 0.579 ' CE1' HD11 ' A' ' 337' ' ' ILE . 7.0 p90 -163.16 144.44 9.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 0.0 OUTLIER -92.98 141.07 28.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.851 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . 0.547 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -74.81 -38.37 62.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.592 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 548' ' ' CYS . . . . . 0.492 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.3 OUTLIER -73.13 5.41 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 16.5 t -103.34 -28.28 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.401 HD13 HG21 ' B' ' 554' ' ' THR . 21.1 mt -67.42 151.48 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.626 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.88 152.2 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.499 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 552' ' ' LYS . . . . . 0.54 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -41.06 -43.06 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 81.3 m -47.72 -54.25 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 554' ' ' THR . . . . . 0.401 HG21 HD13 ' B' ' 550' ' ' LEU . 3.8 m -63.82 -47.99 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.679 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . 0.52 HG22 HD21 ' B' ' 507' ' ' LEU . 57.5 t -56.22 -32.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.751 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . 0.553 ' NH1' HE22 ' B' ' 559' ' ' GLN . 33.0 mmt-85 -70.37 -45.6 65.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.788 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -61.48 -35.23 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.77 -46.27 82.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.388 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . 0.553 HE22 ' NH1' ' B' ' 556' ' ' ARG . 17.8 mt-30 -54.33 -39.22 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 8.4 m -70.23 -41.83 73.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.685 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.37 -51.51 34.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.642 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.615 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.782 0.325 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.438 HD23 ' CB ' ' B' ' 547' ' ' LEU . 3.8 tp -147.75 100.01 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.259 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.64 141.84 43.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' ALA . . . . . 0.8 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -115.95 131.02 57.06 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.536 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -101.54 128.84 47.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.123 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.2 OUTLIER -127.96 89.61 49.94 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.89 121.35 8.56 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.118 1.879 . . . . 0.0 111.875 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' VAL . . . . . 0.439 ' C ' ' N ' ' A' ' 341' ' ' ARG . 29.7 m -46.13 -32.87 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.19 -10.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 339' ' ' VAL . 4.3 ttt180 -97.52 -56.61 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' ILE . . . . . 0.477 HG21 HG21 ' B' ' 527' ' ' VAL . 4.0 mt -73.15 -59.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.331 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.624 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.865 0.364 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 504' ' ' LEU . . . . . 0.652 ' O ' HG23 ' B' ' 508' ' ' VAL . 10.9 mp -65.98 -39.55 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.733 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.0 -47.64 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.457 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.4 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 507' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' B' ' 547' ' ' LEU . 8.0 mt -54.29 -47.52 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.51 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 508' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 504' ' ' LEU . 42.2 t -62.51 -47.48 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.07 -41.0 70.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.08 -60.6 3.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 511' ' ' HIS . . . . . 0.8 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -46.37 -39.56 10.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -63.97 -51.6 63.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -58.39 -23.87 58.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.1 mt -86.75 -49.08 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 11.0 mtt -47.75 -21.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 17.1 p -95.82 -36.69 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.487 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 517' ' ' LEU . . . . . 0.518 HD23 ' HG2' ' B' ' 519' ' ' GLU . 1.3 mp -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 518' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' B' ' 520' ' ' ARG . 10.6 tpp180 -132.85 9.83 4.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 519' ' ' GLU . . . . . 0.518 ' HG2' HD23 ' B' ' 517' ' ' LEU . 0.5 OUTLIER -48.92 89.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.55 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 520' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' B' ' 518' ' ' ARG . 0.5 OUTLIER -75.04 -38.18 61.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.717 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.3 -53.78 45.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.707 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.24 -30.41 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 523' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 337' ' ' ILE . 11.3 tp -57.54 -41.38 80.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.781 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.75 -30.93 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -77.54 -35.17 53.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.466 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 526' ' ' ILE . . . . . 0.466 HG23 HD21 ' B' ' 558' ' ' LEU . 56.7 mt -62.28 -48.42 88.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.583 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 527' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 342' ' ' ILE . 26.3 t -42.28 -41.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.43 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.15 -49.64 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -27.96 17.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.503 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 4.1 mm -78.09 -52.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -28.91 9.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.286 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.88 -54.14 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 533' ' ' THR . . . . . 0.446 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.6 t -72.89 -0.12 12.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.31 27.53 1.2 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 535' ' ' HIS . . . . . 0.446 ' H ' HG23 ' B' ' 533' ' ' THR . 5.5 m80 -113.84 97.27 6.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 0.0 110.781 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -172.0 -175.42 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 537' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -140.86 101.79 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 538' ' ' ILE . . . . . 0.508 HG23 ' O ' ' B' ' 538' ' ' ILE . 0.9 OUTLIER -91.27 124.79 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.684 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -83.27 156.33 23.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.541 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -28.88 66.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.723 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 60.6 p -132.45 24.32 4.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 542' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.22 167.46 16.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.2 121.0 22.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 544' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.8 OUTLIER -140.85 160.7 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 -179.643 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 545' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' A' ' 337' ' ' ILE . 5.7 p90 -151.8 137.88 18.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.567 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 2.2 t0 -82.04 138.54 34.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 547' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -79.06 -36.01 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 548' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 8.5 t -77.38 11.35 2.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 2.3 m -108.58 -28.71 9.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.652 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.04 143.06 52.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.524 ' O ' HG23 ' B' ' 555' ' ' VAL . 9.9 m-20 -78.95 -169.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.472 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 552' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -72.15 -35.13 68.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.704 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 553' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' B' ' 554' ' ' THR . 0.4 OUTLIER -54.7 -57.56 11.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 554' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' B' ' 553' ' ' THR . 0.0 OUTLIER -61.25 -46.9 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 551' ' ' ASP . 78.1 t -54.81 -42.05 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.926 0.393 . . . . 0.0 110.588 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 556' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' B' ' 556' ' ' ARG . 0.0 OUTLIER -64.32 -44.02 92.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -63.6 -40.36 96.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . 0.466 HD21 HG23 ' B' ' 526' ' ' ILE . 96.5 mt -64.7 -43.83 92.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.421 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 1.8 t -65.32 -42.58 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.32 -47.59 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.868 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.16 57.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.469 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -80.11 -153.32 8.52 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -159.32 121.72 1.07 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -152.2 61.58 4.12 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 120.831 0.348 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -72.42 151.01 53.13 Favored 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.814 2.343 . . . . 0.0 112.203 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.65 119.11 34.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.273 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.618 HD13 HG22 ' B' ' 508' ' ' VAL . 0.7 OUTLIER -82.58 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.419 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 45.7 mt -125.3 140.25 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.561 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -118.87 129.56 55.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -106.13 126.74 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.426 ' CG2' HD11 ' A' ' 342' ' ' ILE . 29.0 mt -131.27 92.88 31.26 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.132 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -46.9 121.05 4.61 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.354 2.036 . . . . 0.0 112.158 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 34.0 m -47.35 -27.5 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.554 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.04 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -97.61 -51.69 4.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ILE . . . . . 0.426 HD11 ' CG2' ' A' ' 337' ' ' ILE . 4.1 mt -78.2 -59.09 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? -68.25 -44.9 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . 0.423 ' O ' ' OD1' ' A' ' 345' ' ' ASP . . . 74.06 44.99 27.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 344' ' ' GLY . 2.7 m-20 -155.65 74.66 5.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.308 . . . . 0.0 110.557 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.84 -73.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.75 2.3 . . . . 0.0 112.194 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -136.96 32.91 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.672 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 39.45 -143.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.511 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.484 179.764 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -172.85 -16.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -62.05 -15.07 41.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -41.96 -55.02 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -51.0 -60.67 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.588 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 504' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 508' ' ' VAL . 4.4 mt -55.57 -35.98 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -48.89 77.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.35 -49.52 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 507' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.1 mt -50.56 -47.17 57.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 508' ' ' VAL . . . . . 0.618 HG22 HD13 ' A' ' 333' ' ' LEU . 57.8 t -63.75 -49.95 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.53 -41.73 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.16 -61.56 2.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.522 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 511' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -40.74 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.489 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 512' ' ' ARG . . . . . 0.421 ' O ' HG23 ' B' ' 516' ' ' THR . 20.3 mtp180 -56.71 -49.71 74.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.9 -39.97 91.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.627 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.74 -38.62 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.7 tpt -57.42 -10.77 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 516' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 512' ' ' ARG . 3.2 p -100.06 -25.34 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.95 162.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -131.52 6.76 4.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 519' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' B' ' 519' ' ' GLU . 8.7 mp0 -85.29 111.81 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -74.99 -38.84 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.675 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -55.1 28.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.3 mt -54.35 -32.77 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 523' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.0 OUTLIER -64.01 -41.62 97.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.737 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -59.71 -45.4 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' B' ' 525' ' ' GLN . 0.6 OUTLIER -58.96 -45.88 89.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 110.527 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 526' ' ' ILE . . . . . 0.419 HG23 HD21 ' B' ' 558' ' ' LEU . 48.3 mt -55.19 -50.2 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.374 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 527' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 523' ' ' LEU . 61.4 t -45.93 -47.06 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.519 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -58.64 -39.69 81.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 529' ' ' LEU . . . . . 0.461 HD21 ' HD3' ' B' ' 557' ' ' LYS . 0.3 OUTLIER -58.16 -39.63 79.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 9.5 mm -67.13 -35.71 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.416 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.51 -27.88 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.569 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.58 -44.33 87.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 533' ' ' THR . . . . . 0.451 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.8 t -72.71 2.02 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.76 27.78 1.48 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 535' ' ' HIS . . . . . 0.451 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -124.53 100.84 6.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.747 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -175.07 -177.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.727 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 537' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' B' ' 544' ' ' ASP . 2.0 t60 -137.23 101.31 4.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . 0.478 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.1 tt -93.61 127.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.852 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.5 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -88.16 153.66 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.441 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -65.09 -10.5 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.6 13.55 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.6 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' THR . . . . . 0.5 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -168.3 167.01 12.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -131.33 120.08 22.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -139.5 152.72 47.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -151.4 146.32 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.643 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . 0.446 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.32 140.24 31.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.95 -37.66 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 48.9 t -77.44 6.75 6.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 36.4 p -104.48 -27.94 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 39.3 mt -57.98 164.51 2.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' B' ' 551' ' ' ASP . 0.4 OUTLIER -98.17 168.89 9.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 552' ' ' LYS . . . . . 0.422 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.2 OUTLIER -52.45 -40.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 10.2 m -53.87 -55.74 24.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -60.04 4.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.725 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 58.7 t -48.22 -39.98 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -44.83 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' B' ' 529' ' ' LEU . 0.7 OUTLIER -62.75 -36.55 83.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.426 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 526' ' ' ILE . 96.1 mt -63.35 -43.17 98.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.517 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -60.61 -40.3 91.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -32.34 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.6 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.08 -50.74 72.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.24 -42.57 99.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' B' ' 564' ' ' THR . 12.5 mm-40 -70.47 -35.06 73.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.718 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 564' ' ' THR . . . . . 0.437 ' C ' ' O ' ' B' ' 563' ' ' GLU . 4.6 t 32.22 41.82 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 46.8 t -99.72 90.72 4.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.602 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -101.22 -98.5 2.34 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 15.0 m -89.91 135.85 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.46 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.645 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -104.69 -163.58 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 91.74 -49.05 2.82 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . 106.26 -158.46 15.48 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 40.9 mtm180 -104.81 155.62 37.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.4 151.01 80.92 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.714 2.276 . . . . 0.0 112.006 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p -134.88 145.86 48.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' B' ' 547' ' ' LEU . 4.0 tp -151.98 100.09 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.35 141.79 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.869 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -118.96 130.88 55.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -106.77 123.78 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 342' ' ' ILE . 23.9 mt -125.87 89.87 51.52 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.219 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -46.98 123.26 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.281 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.458 ' C ' ' N ' ' A' ' 341' ' ' ARG . 1.2 m -42.25 -37.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.571 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -50.46 -11.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.702 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.458 ' N ' ' C ' ' A' ' 339' ' ' VAL . 32.3 ttm180 -97.47 -55.93 2.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ILE . . . . . 0.45 HG21 HG21 ' B' ' 527' ' ' VAL . 4.1 mt -74.6 -55.34 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.571 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.0 mm? -68.74 -18.24 64.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -86.8 119.2 5.12 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -135.5 72.68 64.04 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.434 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.57 167.92 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.818 2.346 . . . . 0.0 112.192 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -155.69 44.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.49 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 42.37 -144.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.544 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 14.5 mmt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -155.67 70.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.483 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -103.25 -41.36 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.557 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.98 -58.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -47.33 -59.59 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.661 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 504' ' ' LEU . . . . . 0.597 ' O ' HG23 ' B' ' 508' ' ' VAL . 3.0 mt -57.51 -48.54 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.631 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -46.82 66.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 506' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' B' ' 559' ' ' GLN . 3.0 mm-40 -59.02 -50.95 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 507' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.0 mt -54.31 -44.44 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 508' ' ' VAL . . . . . 0.597 HG23 ' O ' ' B' ' 504' ' ' LEU . 39.6 t -64.56 -49.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.476 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.77 -44.23 77.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.35 -59.97 4.45 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 511' ' ' HIS . . . . . 0.869 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.5 OUTLIER -50.26 -37.87 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.605 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -50.98 71.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -63.27 -34.45 77.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -44.11 97.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 27.0 mtp -58.83 -12.74 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.1 m -95.04 -33.64 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.47 144.75 30.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.49 19.69 8.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.615 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -100.07 101.35 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -32.64 74.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.513 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -55.5 -40.17 71.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 2.4 mm -66.23 -33.23 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.509 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 523' ' ' LEU . . . . . 0.775 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.8 mp -64.24 -41.7 96.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.574 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -55.73 -50.9 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.4 -45.13 92.36 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 31.7 mt -55.84 -53.12 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 527' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 523' ' ' LEU . 36.4 t -41.87 -43.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.34 -42.6 96.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.276 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.51 -36.41 69.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.636 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 11.4 mm -71.75 -38.2 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.48 -26.92 65.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.46 -48.9 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 533' ' ' THR . . . . . 0.412 HG23 ' H ' ' B' ' 535' ' ' HIS . 1.9 t -72.46 1.9 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 45.23 27.0 1.57 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 535' ' ' HIS . . . . . 0.412 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -116.19 97.17 5.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.662 0.267 . . . . 0.0 110.722 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -174.02 -176.72 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 537' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.0 OUTLIER -139.5 101.14 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.501 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.87 136.28 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.46 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -97.11 156.63 16.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.435 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -58.48 -23.63 58.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 1.2 p -139.66 25.56 2.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.618 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.33 165.64 15.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.577 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -134.98 115.18 13.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' B' ' 537' ' ' HIS . 6.8 p30 -136.9 149.25 47.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.479 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -142.54 144.51 32.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . 0.411 ' OD2' ' CB ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -84.01 138.95 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . 0.474 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.39 -35.56 40.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.357 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.94 11.19 3.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' SER . . . . . 0.411 ' CB ' ' OD2' ' B' ' 546' ' ' ASP . 28.3 m -106.77 -25.99 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.488 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 44.1 mt -71.43 143.68 50.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -83.88 -177.81 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 552' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' B' ' 556' ' ' ARG . 0.5 OUTLIER -63.8 -20.69 65.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 94.7 m -62.95 -56.88 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.516 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -56.72 8.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.736 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 94.9 t -43.09 -37.94 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.701 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' B' ' 552' ' ' LYS . 15.6 mmm180 -68.98 -48.34 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -60.87 -34.17 74.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.16 -44.56 72.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' B' ' 506' ' ' GLU . 24.0 mt-30 -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 560' ' ' SER . . . . . 0.489 ' O ' ' N ' ' B' ' 564' ' ' THR . 64.7 m -70.43 -43.72 69.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.663 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.2 -45.73 34.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.33 -41.0 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.357 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -79.37 -0.69 33.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.731 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 564' ' ' THR . . . . . 0.489 ' N ' ' O ' ' B' ' 560' ' ' SER . 10.1 t -40.09 126.72 2.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.368 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 7.4 p -168.07 48.2 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.498 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 160.76 139.98 2.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.26 -178.1 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.739 0.304 . . . . 0.0 110.547 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.603 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -58.64 162.66 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 95.96 -153.72 20.66 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -143.59 145.09 14.54 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -137.21 61.76 34.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.649 0.261 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -71.5 171.93 15.27 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.569 2.179 . . . . 0.0 112.121 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 m -136.94 151.44 49.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.658 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.531 HD23 ' CB ' ' B' ' 547' ' ' LEU . 2.8 tp -137.78 102.96 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.439 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 2.7 mp -129.24 140.92 47.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.776 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.684 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -116.32 127.27 54.55 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.709 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 121.22 43.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.66 89.8 24.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.878 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -49.22 125.97 14.57 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.255 1.97 . . . . 0.0 112.301 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 341' ' ' ARG . 11.3 m -43.9 -38.23 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 339' ' ' VAL . . . -49.99 -10.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 339' ' ' VAL . 64.5 ttt180 -97.34 -53.2 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.752 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ILE . . . . . 0.418 HG12 HG21 ' B' ' 527' ' ' VAL . 4.2 mt -77.65 -58.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.527 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.0 mm? -67.1 -17.57 64.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -70.13 121.56 10.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 345' ' ' ASP . 2.6 p30 -155.67 62.74 3.32 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.546 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -75.34 17.78 0.61 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.695 2.263 . . . . 0.0 112.128 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.7 65.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -53.13 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.541 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.501 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 20.4 mtm . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.52 98.57 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -52.33 -40.74 62.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.528 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -41.54 -64.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.48 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -46.02 -51.88 12.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 504' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.6 mt -60.97 -34.4 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.514 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -46.63 89.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -59.24 -54.22 49.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 507' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' B' ' 547' ' ' LEU . 5.6 mt -48.69 -51.75 26.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 508' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 504' ' ' LEU . 56.3 t -61.47 -48.48 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.3 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -40.81 71.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.85 -61.52 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 511' ' ' HIS . . . . . 0.684 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 1.3 t60 -49.09 -35.3 15.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.334 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -56.97 15.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.05 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -64.01 -25.02 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.727 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -43.05 88.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 28.7 mtt -54.73 -28.61 49.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.561 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 7.2 p -88.45 5.3 43.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.531 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.7 tp -82.32 120.85 25.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -95.19 -28.06 15.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.45 101.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -72.29 -31.17 65.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -58.57 -47.31 84.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 38.7 mt -60.2 -32.77 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 523' ' ' LEU . . . . . 0.741 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.2 tp -61.08 -39.84 91.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -60.52 -44.22 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -61.58 -46.07 91.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 51.6 mt -56.5 -51.84 60.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 527' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 523' ' ' LEU . 48.6 t -43.27 -45.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.464 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.473 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 529' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' B' ' 532' ' ' GLU . 5.9 tp -52.28 -61.56 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 109.904 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 530' ' ' ILE . . . . . 0.468 HG22 ' HB3' ' B' ' 536' ' ' PHE . 8.5 mm -45.99 -40.75 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.459 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 531' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' B' ' 536' ' ' PHE . 6.9 mm-40 -72.3 -27.51 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.186 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' B' ' 529' ' ' LEU . 26.9 tt0 -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 533' ' ' THR . . . . . 0.432 HG21 HG21 ' B' ' 554' ' ' THR . 2.3 t -72.9 3.05 5.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.438 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.78 25.7 5.09 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 535' ' ' HIS . . . . . 0.418 ' H ' HG23 ' B' ' 533' ' ' THR . 0.5 OUTLIER -123.47 101.03 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.68 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 536' ' ' PHE . . . . . 0.5 ' CZ ' ' OE1' ' B' ' 531' ' ' GLU . 51.4 p90 -174.1 -176.31 1.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.711 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.65 101.25 4.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . 0.558 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -93.52 119.15 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.652 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.476 ' N ' ' O ' ' B' ' 542' ' ' THR . 1.1 m -81.63 153.85 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.83 -8.13 26.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 81.1 p -140.19 11.82 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' THR . . . . . 0.476 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.31 168.17 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.542 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -133.08 117.83 18.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.56 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -139.02 161.59 37.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' B' ' 545' ' ' PHE . 6.3 p90 -152.31 142.99 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.677 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.52 111.25 19.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . 0.531 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.8 mm? -53.29 -32.29 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.432 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.0 OUTLIER -71.59 -11.57 60.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.521 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' SER . . . . . 0.403 ' OG ' ' ND1' ' B' ' 535' ' ' HIS . 16.3 t -100.65 25.74 7.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.649 HD12 ' HB ' ' B' ' 554' ' ' THR . 4.2 mm? -102.45 142.13 34.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.874 0.368 . . . . 0.0 110.629 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' B' ' 551' ' ' ASP . 0.7 OUTLIER -83.48 169.25 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.71 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 552' ' ' LYS . . . . . 0.563 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -55.86 -41.92 75.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.8 m -55.73 -56.83 15.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 554' ' ' THR . . . . . 0.649 ' HB ' HD12 ' B' ' 550' ' ' LEU . 9.4 p -51.74 -58.3 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.3 t -51.07 -44.47 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.638 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -44.77 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.534 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.368 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.78 -40.55 84.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.349 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -43.16 75.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.502 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -49.0 -46.67 44.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.636 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.92 -45.17 78.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.724 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.39 -68.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 15.1 t -79.25 146.45 33.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.416 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 565' ' ' SER . . . . . 0.508 ' O ' ' N ' ' B' ' 567' ' ' THR . 0.0 OUTLIER -126.47 -10.15 6.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.513 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 44.59 -90.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . 0.508 ' N ' ' O ' ' B' ' 565' ' ' SER . 0.0 OUTLIER 52.89 103.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.581 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.495 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -79.84 -62.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.501 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -174.57 109.04 0.28 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -105.75 78.33 0.26 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -151.46 68.63 7.84 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.817 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.28 170.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.784 2.323 . . . . 0.0 111.854 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 53.8 p -103.46 85.28 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.399 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.659 HD13 HG22 ' B' ' 508' ' ' VAL . 1.0 OUTLIER -75.55 102.42 5.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.449 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.98 140.47 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.516 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -109.17 130.32 55.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -113.87 104.76 12.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.215 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.32 129.22 24.17 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.73 122.38 7.74 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.845 1.697 . . . . 0.0 112.219 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.422 ' H ' HG13 ' A' ' 339' ' ' VAL . 5.9 m -49.36 -27.99 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.653 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -55.22 -13.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -97.68 -52.34 3.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.8 mt -75.32 -58.26 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.539 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.1 mm? -68.56 -30.48 69.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.441 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 80.36 -121.17 5.38 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -163.17 68.92 1.84 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.779 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.21 152.5 3.55 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.72 2.28 . . . . 0.0 112.036 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -145.83 45.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.508 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 348' ' ' GLU . 1.4 mp0 -40.78 128.04 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.637 -179.851 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 40.6 mtm . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 48.38 84.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 501' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 504' ' ' LEU . 5.9 tttp -144.52 -42.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -39.92 -40.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.526 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.61 -45.02 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.438 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 504' ' ' LEU . . . . . 0.546 HD11 ' SG ' ' B' ' 548' ' ' CYS . 4.5 mp -71.75 -45.3 62.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -49.32 -45.52 45.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.95 -51.26 70.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 507' ' ' LEU . . . . . 0.652 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.8 mt -51.87 -50.32 61.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 508' ' ' VAL . . . . . 0.659 HG22 HD13 ' A' ' 333' ' ' LEU . 21.2 t -62.04 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.636 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.03 -53.83 52.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.623 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 511' ' ' HIS . . . . . 0.516 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.1 OUTLIER -61.19 -40.17 92.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.69 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -54.36 -42.57 70.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -66.36 -43.91 84.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 514' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' B' ' 517' ' ' LEU . 6.4 mp -49.56 -44.78 47.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.433 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 1.5 mmt -43.43 -23.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 516' ' ' THR . . . . . 0.425 ' N ' ' O ' ' B' ' 514' ' ' LEU . 24.3 m -93.0 -28.58 16.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.741 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 517' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 514' ' ' LEU . 0.9 OUTLIER -61.47 130.6 46.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.484 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.41 -30.09 9.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.7 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -68.92 -24.76 64.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -61.51 -59.9 4.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.364 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 69.7 mt -50.91 -33.74 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 523' ' ' LEU . . . . . 0.526 ' O ' HG23 ' B' ' 527' ' ' VAL . 0.9 OUTLIER -57.59 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.23 -46.34 65.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 0.0 110.701 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -59.62 -45.08 93.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.119 0.485 . . . . 0.0 110.545 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.84 -55.46 15.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 527' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 523' ' ' LEU . 16.2 t -43.62 -42.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.416 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -42.9 91.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.186 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.07 -36.63 77.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 530' ' ' ILE . . . . . 0.456 HD12 HD13 ' B' ' 550' ' ' LEU . 7.8 mm -69.49 -34.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.926 0.393 . . . . 0.0 110.361 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -73.58 -30.38 62.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.603 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -44.91 96.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 533' ' ' THR . . . . . 0.4 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.2 t -73.65 4.06 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.623 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 48.17 26.52 4.73 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 535' ' ' HIS . . . . . 0.4 ' H ' HG23 ' B' ' 533' ' ' THR . 0.3 OUTLIER -121.03 97.9 5.74 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.913 0.387 . . . . 0.0 110.778 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 536' ' ' PHE . . . . . 0.448 ' HB3' HG22 ' B' ' 530' ' ' ILE . 53.4 p90 -174.44 -179.23 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.785 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.1 101.83 4.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . 0.564 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.2 tt -88.99 119.08 35.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.439 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -86.68 154.95 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.447 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -54.44 -33.33 59.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.701 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' THR . . . . . 0.407 ' C ' ' HG1' ' B' ' 542' ' ' THR . 6.9 p -135.82 29.26 3.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.628 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.46 165.74 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -136.63 108.05 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.56 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -128.64 157.73 40.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' B' ' 545' ' ' PHE . 11.6 p90 -160.99 151.53 18.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.64 140.62 29.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.987 0.422 . . . . 0.0 110.853 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . 0.652 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -76.25 -41.28 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.411 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' B' ' 504' ' ' LEU . 1.7 t -70.47 14.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' SER . . . . . 0.51 ' H ' ' C ' ' B' ' 547' ' ' LEU . 33.5 m -113.02 -28.02 7.85 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.456 HD13 HD12 ' B' ' 530' ' ' ILE . 13.8 mt -70.67 120.5 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.577 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.74 152.23 9.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.553 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 552' ' ' LYS . . . . . 0.582 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -45.17 -37.62 4.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 553' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' B' ' 554' ' ' THR . 1.0 OUTLIER -48.72 -56.69 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 554' ' ' THR . . . . . 0.463 ' N ' ' OG1' ' B' ' 553' ' ' THR . 7.3 m -60.06 -52.28 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.488 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . 0.406 HG22 HD21 ' B' ' 507' ' ' LEU . 55.6 t -46.18 -44.57 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.471 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -58.8 -48.7 80.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -56.21 -49.05 75.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.55 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 80.3 mt -55.43 -43.54 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -55.63 -38.25 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 560' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 564' ' ' THR . 0.6 OUTLIER -71.89 -41.53 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -47.76 -51.41 22.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.72 -44.16 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -78.04 -79.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.668 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 564' ' ' THR . . . . . 0.429 ' O ' ' O ' ' B' ' 560' ' ' SER . 0.1 OUTLIER -104.58 159.01 16.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.582 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.41 132.22 52.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.56 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -161.95 140.23 6.46 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 72.3 p -132.22 48.77 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.631 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.513 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -146.74 103.7 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 103.22 75.15 1.05 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -137.43 -118.1 1.67 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -152.79 69.22 7.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 110.53 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.51 155.25 3.65 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.774 2.316 . . . . 0.0 112.175 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.85 146.68 22.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.438 HD23 ' CB ' ' B' ' 547' ' ' LEU . 2.9 tp -141.52 102.43 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.61 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.64 141.28 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.763 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -122.14 131.31 53.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -112.03 133.03 54.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 4.8 mt -138.4 95.14 10.39 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.33 121.5 4.66 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.38 2.054 . . . . 0.0 112.372 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 341' ' ' ARG . 29.2 m -46.73 -34.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -51.42 -11.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' A' ' 339' ' ' VAL . 1.2 ttt180 -97.06 -56.97 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.1 mt -71.72 -58.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.3 mm? -73.37 -36.84 66.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -95.87 -178.16 36.4 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -171.89 64.91 0.38 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -45.81 152.23 1.12 Allowed 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.77 2.313 . . . . 0.0 112.069 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -177.13 49.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.616 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.7 -10.14 33.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.688 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' B' ' 500' ' ' ASP . 0.0 OUTLIER -43.82 160.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.507 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 501' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' B' ' 504' ' ' LEU . 7.0 tptp -170.65 150.7 3.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.563 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 502' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' B' ' 501' ' ' LYS . . . -39.63 -30.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.469 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 503' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' B' ' 501' ' ' LYS . 8.0 t80 -83.13 -41.08 18.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.372 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 504' ' ' LEU . . . . . 0.542 ' O ' HG23 ' B' ' 508' ' ' VAL . 2.8 mt -76.13 -48.4 20.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.494 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.73 -37.9 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.348 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.37 -48.16 65.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 507' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' B' ' 547' ' ' LEU . 6.4 mt -55.22 -40.4 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 508' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 504' ' ' LEU . 31.1 t -66.02 -44.44 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.345 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.58 -37.78 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.545 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.63 -56.97 14.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.389 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 511' ' ' HIS . . . . . 0.763 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.6 OUTLIER -53.68 -42.06 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.507 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -57.03 -56.6 19.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 513' ' ' ARG . . . . . 0.433 ' CG ' HH11 ' B' ' 513' ' ' ARG . 5.2 mtt85 -57.51 -40.97 79.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.17 -44.86 83.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.524 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.57 -3.84 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.486 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.12 -21.26 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.526 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.13 147.96 51.58 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -38.16 4.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.537 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.12 112.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -73.86 -36.92 64.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -54.1 -34.5 60.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 1.6 mm -69.54 -35.07 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 523' ' ' LEU . . . . . 0.634 ' O ' HG23 ' B' ' 527' ' ' VAL . 4.5 mp -62.38 -38.72 90.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.458 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -60.43 -51.8 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.665 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -54.61 -43.08 71.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.572 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 43.0 mt -58.1 -50.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 527' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 523' ' ' LEU . 46.9 t -46.37 -41.53 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.19 -42.68 99.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 529' ' ' LEU . . . . . 0.447 HD11 ' CD ' ' B' ' 557' ' ' LYS . 0.4 OUTLIER -53.78 -36.57 62.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 12.2 mm -70.51 -43.13 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.289 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.11 -26.09 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.71 -50.41 69.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 533' ' ' THR . . . . . 0.448 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.5 t -72.14 3.42 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.435 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 43.45 26.12 0.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 535' ' ' HIS . . . . . 0.448 ' H ' HG23 ' B' ' 533' ' ' THR . 2.9 t-160 -116.89 97.71 6.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -172.51 -176.34 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 537' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' B' ' 544' ' ' ASP . 1.2 t60 -137.83 101.23 4.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . 0.48 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -92.13 127.41 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.946 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.486 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -81.77 156.07 25.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.334 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.7 -19.8 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 10.2 p -138.99 22.72 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' THR . . . . . 0.486 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -167.78 167.26 13.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -128.19 122.14 31.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.767 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 545' ' ' PHE . 6.4 t0 -138.39 151.58 47.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' PHE . . . . . 0.483 ' N ' ' OD1' ' B' ' 544' ' ' ASP . 9.1 p90 -150.29 141.59 23.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.374 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 8.9 t0 -84.12 139.97 32.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . 0.527 ' HB3' HD22 ' B' ' 507' ' ' LEU . 4.0 mm? -79.95 -36.25 36.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.75 9.36 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.699 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 77.9 p -107.69 -25.26 11.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.413 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.46 123.92 20.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 553' ' ' THR . 1.8 m-20 -64.54 152.95 40.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.262 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 552' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -18.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.693 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 553' ' ' THR . . . . . 0.528 ' N ' ' O ' ' B' ' 551' ' ' ASP . 5.9 m -65.29 -56.25 13.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.439 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.45 4.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.433 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 60.6 t -41.56 -44.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.657 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.876 0.369 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . 0.447 ' CD ' HD11 ' B' ' 529' ' ' LEU . 11.8 mttt -61.44 -49.29 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 87.3 mt -55.01 -41.72 71.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -57.43 -41.35 80.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.196 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 560' ' ' SER . . . . . 0.403 ' O ' HG22 ' B' ' 564' ' ' THR . 64.8 p -69.23 -40.28 78.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -48.97 -49.36 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.18 -44.03 97.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.45 -72.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 564' ' ' THR . . . . . 0.434 HG22 ' H ' ' B' ' 564' ' ' THR . 0.1 OUTLIER -73.28 156.33 38.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.462 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 13.9 p -146.32 -169.03 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -90.23 -49.36 3.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 2.6 t -163.56 145.39 9.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.815 0.341 . . . . 0.0 110.548 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.608 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 327' ' ' GLN . 5.2 p . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.429 ' N ' ' OG1' ' A' ' 326' ' ' THR . 2.0 mt-30 45.96 62.49 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.472 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -96.01 -179.95 35.57 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -85.82 100.39 2.47 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -62.96 155.33 72.84 Favored Pre-proline 0 C--N 1.33 -0.244 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.679 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -68.32 133.44 28.37 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.612 2.208 . . . . 0.0 112.044 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.2 p -87.22 91.28 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.412 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 1.4 tp -91.05 101.23 13.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.407 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 44.4 mt -128.06 140.76 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -124.13 133.23 53.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -101.8 141.62 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.243 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.687 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.5 OUTLIER -138.36 92.62 11.84 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.37 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.37 121.41 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.131 1.887 . . . . 0.0 112.298 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' A' ' 341' ' ' ARG . 15.5 m -47.65 -35.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.404 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.55 -8.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 339' ' ' VAL . 57.7 ttt180 -97.04 -56.43 2.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ILE . . . . . 0.409 HG23 ' HG2' ' B' ' 524' ' ' GLN . 1.8 mt -77.99 -57.77 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 343' ' ' LEU . 3.9 mm? -65.34 -20.63 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.416 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -63.9 172.03 16.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 41.57 61.18 8.15 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -73.74 -21.58 18.78 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.746 2.298 . . . . 0.0 112.078 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -170.71 58.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.534 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.34 167.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.596 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 16.2 mmt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.76 -37.02 12.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.423 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -44.89 -56.95 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.499 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.5 -34.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.672 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -61.11 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.732 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 504' ' ' LEU . . . . . 0.701 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.8 mt -57.59 -45.67 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.01 -44.37 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.543 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.24 -52.29 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 507' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.8 mt -54.47 -50.06 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 508' ' ' VAL . . . . . 0.701 HG23 ' O ' ' B' ' 504' ' ' LEU . 52.1 t -55.86 -46.31 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.407 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.11 -42.05 97.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 510' ' ' LEU . . . . . 0.439 HD13 ' O ' ' B' ' 510' ' ' LEU . 0.2 OUTLIER -53.39 -58.32 7.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 511' ' ' HIS . . . . . 0.632 ' CE1' HD11 ' B' ' 547' ' ' LEU . 0.1 OUTLIER -58.15 -49.17 77.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.63 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -47.4 21.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.737 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -73.21 -45.94 53.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.71 -25.05 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.716 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 14.0 ttm -73.83 -25.54 60.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 1.3 m -84.99 -20.02 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.83 161.71 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -131.45 9.75 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -85.37 99.41 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -72.13 -31.49 66.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -47.41 86.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.58 -32.96 55.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.39 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 523' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.7 mm? -62.27 -37.4 85.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 524' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 342' ' ' ILE . 33.9 mt-30 -62.74 -47.04 85.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -40.79 85.77 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.305 0.574 . . . . 0.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 35.7 mt -58.1 -50.29 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.249 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 527' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 523' ' ' LEU . 85.2 t -42.13 -45.61 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 528' ' ' ASN . . . . . 0.547 ' ND2' ' N ' ' B' ' 528' ' ' ASN . 0.7 OUTLIER -62.21 -40.96 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.162 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 529' ' ' LEU . . . . . 0.464 HD11 ' NZ ' ' B' ' 557' ' ' LYS . 0.4 OUTLIER -57.91 -35.21 70.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 10.3 mm -71.09 -36.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.933 0.397 . . . . 0.0 110.412 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -70.4 -31.2 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.87 -48.3 81.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.713 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.5 t -72.61 3.82 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.479 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.92 29.79 0.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.4 96.63 5.22 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.754 0.311 . . . . 0.0 110.824 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -173.91 -173.63 0.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -143.89 100.86 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . 0.446 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.1 tt -93.88 129.35 44.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.681 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.416 ' N ' ' O ' ' B' ' 542' ' ' THR . 24.2 m -96.3 153.06 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.85 -0.61 5.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.95 4.49 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.572 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -169.96 168.13 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.422 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -126.9 112.35 15.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.26 158.6 33.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' PHE . . . . . 0.687 ' CE1' HD11 ' A' ' 337' ' ' ILE . 4.5 p90 -156.38 144.46 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.434 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' B' ' 549' ' ' SER . 0.0 OUTLIER -87.27 138.13 31.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . 0.632 HD11 ' CE1' ' B' ' 511' ' ' HIS . 3.8 mm? -79.88 -34.28 39.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.05 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.06 0.96 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 546' ' ' ASP . 59.2 p -100.7 -19.49 16.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.258 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 551' ' ' ASP . 21.6 mt -73.63 115.26 12.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.534 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.458 ' O ' HG23 ' B' ' 555' ' ' VAL . 0.5 OUTLIER -53.81 -168.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 552' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -75.66 -33.47 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 1.9 m -53.48 -57.04 12.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 554' ' ' THR . . . . . 0.405 HG22 HD12 ' B' ' 529' ' ' LEU . 0.0 OUTLIER -60.21 -57.6 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.726 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 551' ' ' ASP . 96.0 t -44.89 -41.35 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -67.28 -44.3 79.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.596 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . 0.464 ' NZ ' HD11 ' B' ' 529' ' ' LEU . 0.1 OUTLIER -58.36 -35.5 72.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.574 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.49 -50.02 64.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.464 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -34.48 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -46.17 46.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.56 -46.18 27.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.439 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.4 mt -63.49 -33.81 76.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -81.19 -83.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.72 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 11.0 t -81.21 175.44 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.62 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 50.7 m 46.31 76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.695 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 166.32 55.9 0.03 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . 0.419 HG23 ' O ' ' B' ' 567' ' ' THR . 10.0 t -103.99 130.51 51.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.724 0.297 . . . . 0.0 110.613 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.611 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 42.41 -108.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 92.09 130.06 4.97 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . 172.57 -96.0 0.11 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -144.19 57.0 4.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.724 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.2 157.29 57.65 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.772 2.315 . . . . 0.0 112.056 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 t -101.61 160.06 14.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.54 HD23 ' CB ' ' B' ' 547' ' ' LEU . 5.1 tp -155.66 100.54 2.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.431 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 51.8 mt -133.19 141.89 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.062 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.695 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -120.36 128.92 53.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.488 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 46.2 mtm-85 -96.18 131.69 42.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.462 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.775 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.5 OUTLIER -129.52 89.82 45.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.055 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.78 120.88 7.14 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.216 1.944 . . . . 0.0 112.255 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . . . . . . . . . 28.7 m -51.58 -29.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.1 -13.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.555 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -97.59 -57.37 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 527' ' ' VAL . 3.1 mt -68.87 -58.93 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.4 mm? -67.51 -51.26 53.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 83.0 -116.34 4.19 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 345' ' ' ASP . 1.1 p-10 -167.19 74.26 1.03 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.24 118.5 4.65 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.84 2.36 . . . . 0.0 112.077 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.63 50.57 0.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.641 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -4.05 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.686 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 13.6 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 500' ' ' ASP . 0.0 OUTLIER -149.42 -51.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -139.17 -34.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.656 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.05 -60.27 1.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.547 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -46.2 -50.51 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.486 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 504' ' ' LEU . . . . . 0.675 ' O ' HG23 ' B' ' 508' ' ' VAL . 5.3 mp -62.94 -40.1 96.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.434 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -44.79 95.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 507' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' B' ' 547' ' ' LEU . 12.3 mt -62.5 -48.87 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.678 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 508' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 504' ' ' LEU . 18.5 t -61.45 -43.24 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.12 -43.76 98.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.407 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.83 -49.63 76.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.204 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 511' ' ' HIS . . . . . 0.695 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -53.94 -47.01 71.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 512' ' ' ARG . . . . . 0.468 ' CG ' HH11 ' B' ' 512' ' ' ARG . 0.7 OUTLIER -56.24 -48.36 76.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -68.02 -42.13 81.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 514' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' B' ' 516' ' ' THR . 0.8 OUTLIER -61.07 -44.93 96.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 7.3 mtt -54.23 -9.02 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.533 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 516' ' ' THR . . . . . 0.454 ' H ' ' C ' ' B' ' 514' ' ' LEU . 3.5 m -99.24 -20.62 16.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.53 138.69 53.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.485 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 518' ' ' ARG . . . . . 0.402 HH11 ' HB2' ' B' ' 518' ' ' ARG . 18.2 mtp-105 -121.81 -31.22 3.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.438 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -45.77 118.26 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -74.61 -43.25 56.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -44.94 -57.54 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.9 -33.42 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.528 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 523' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 527' ' ' VAL . 3.1 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.704 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -58.89 -48.47 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.386 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.3 -42.88 82.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 49.1 mt -57.24 -50.74 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 527' ' ' VAL . . . . . 0.551 HG21 HG21 ' A' ' 342' ' ' ILE . 57.8 t -43.34 -45.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.477 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.22 -47.01 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.462 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -38.65 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.459 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 36.7 mm -70.22 -47.67 65.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.153 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 531' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 527' ' ' VAL . 0.3 OUTLIER -59.24 -23.28 62.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.98 -51.38 55.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 1.8 t -73.21 3.57 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 41.77 29.24 0.49 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -116.47 99.0 6.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.704 0.288 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -174.67 -177.27 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.627 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.34 101.49 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.421 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . 0.52 HG23 ' O ' ' B' ' 538' ' ' ILE . 1.0 OUTLIER -88.19 124.57 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.79 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.434 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.3 OUTLIER -83.17 156.2 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.5 -24.88 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' THR . . . . . 0.436 ' C ' ' HG1' ' B' ' 542' ' ' THR . 11.2 p -134.6 23.79 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.22 168.74 11.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -132.85 114.56 14.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.724 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -132.65 154.72 49.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.783 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' PHE . . . . . 0.775 ' CE1' HD11 ' A' ' 337' ' ' ILE . 5.2 p90 -142.9 140.43 31.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.349 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.81 135.74 34.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . 0.54 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.8 mm? -76.18 -39.5 54.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 7.26 2.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 26.6 t -107.38 -22.97 12.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 31.5 mt -73.45 124.17 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 553' ' ' THR . 0.0 OUTLIER -64.99 151.82 44.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.907 179.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 552' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -42.5 -17.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.753 178.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 553' ' ' THR . . . . . 0.541 ' N ' ' O ' ' B' ' 551' ' ' ASP . 6.4 m -67.22 -57.72 6.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.562 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -43.97 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.312 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 65.5 t -50.25 -47.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -60.82 -43.83 97.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.529 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.14 -42.27 99.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.191 0.519 . . . . 0.0 110.598 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.27 -39.29 82.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.751 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.05 -37.22 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.422 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 53.6 p -71.43 -38.4 71.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.583 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.14 -45.65 75.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.6 -45.21 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.624 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -47.22 -72.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.39 140.5 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 49.3 m -147.3 -8.63 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 69.2 139.54 0.1 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 12.7 t -101.88 146.3 28.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.599 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.605 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 65.78 52.44 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.55 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -140.37 -87.31 0.13 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -72.26 -172.09 18.26 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.06 160.17 55.76 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 0.0 110.714 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.95 173.72 8.86 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.785 2.323 . . . . 0.0 111.766 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 65.8 p -128.22 157.77 39.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.72 HD23 ' CB ' ' B' ' 547' ' ' LEU . 6.2 tp -151.59 100.41 2.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.446 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.5 141.89 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.868 ' HB2' ' CE1' ' B' ' 511' ' ' HIS . . . -117.28 126.91 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.27 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 336' ' ' ARG . 28.3 ptt-85 -109.52 123.85 50.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.66 89.87 38.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.2 121.55 4.6 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.491 2.127 . . . . 0.0 112.415 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 341' ' ' ARG . 35.0 m -44.55 -39.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 339' ' ' VAL . . . -45.67 -16.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 339' ' ' VAL . 1.1 ttt-85 -93.08 -57.46 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.18 -58.61 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.305 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? -70.83 4.14 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.528 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -49.32 123.37 11.77 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 345' ' ' ASP . 10.1 p30 -170.09 63.19 0.45 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.539 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -77.08 116.15 4.14 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.758 2.305 . . . . 0.0 112.111 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -142.05 42.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.87 -3.56 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 499' ' ' MET . . . . . 0.421 ' O ' ' O ' ' B' ' 500' ' ' ASP . 3.0 mtp . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' B' ' 502' ' ' ALA . 13.1 t70 58.55 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 25.2 mttm 60.88 -1.6 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.79 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 502' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' B' ' 500' ' ' ASP . . . -54.87 -46.98 74.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.638 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -53.67 -51.03 64.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.648 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 504' ' ' LEU . . . . . 0.607 ' O ' HG23 ' B' ' 508' ' ' VAL . 7.9 mt -69.97 -39.35 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -60.6 -46.24 90.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.15 -48.57 81.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 507' ' ' LEU . . . . . 0.573 HD22 ' HB3' ' B' ' 547' ' ' LEU . 7.3 mt -54.87 -47.37 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 508' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 504' ' ' LEU . 39.6 t -64.96 -47.33 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.489 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.72 -44.99 93.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 2.5 tt -56.31 -61.66 2.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.442 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 511' ' ' HIS . . . . . 0.868 ' CE1' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -48.61 -45.21 37.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -57.41 -47.49 81.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.662 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -70.27 -30.13 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.39 -38.16 77.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.575 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 3.6 mmt -60.91 -13.83 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 4.2 m -93.01 -34.23 13.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.63 153.44 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.618 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -136.94 8.82 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.31 107.51 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.545 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -55.47 26.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.95 -62.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 53.0 mt -50.43 -33.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 523' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 527' ' ' VAL . 1.2 tp -64.5 -47.54 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.66 -42.36 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.7 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.2 -45.32 92.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.255 0.55 . . . . 0.0 110.474 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.97 -53.96 28.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 527' ' ' VAL . . . . . 0.588 HG13 ' CE2' ' B' ' 543' ' ' PHE . 39.3 t -42.21 -50.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.481 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 528' ' ' ASN . . . . . 0.437 HD22 ' C ' ' B' ' 528' ' ' ASN . 0.2 OUTLIER -54.72 -41.52 70.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.205 179.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -41.53 87.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 6.9 mm -67.65 -24.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.391 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.31 -31.88 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -64.91 -37.37 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 533' ' ' THR . . . . . 0.417 ' H ' HG22 ' B' ' 533' ' ' THR . 2.2 t -72.69 1.61 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.47 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 42.01 29.48 0.59 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 101.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.784 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -175.31 -174.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 537' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.34 101.59 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . 0.511 HG23 ' O ' ' B' ' 538' ' ' ILE . 0.9 OUTLIER -96.68 124.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.436 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.1 OUTLIER -90.58 150.76 21.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.385 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -2.24 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.752 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' THR . . . . . 0.436 ' C ' ' HG1' ' B' ' 542' ' ' THR . 0.6 OUTLIER -140.17 6.64 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.563 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.19 168.65 11.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' PHE . . . . . 0.588 ' CE2' HG13 ' B' ' 527' ' ' VAL . 5.7 t80 -135.85 117.15 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.612 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.59 163.32 32.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' B' ' 545' ' ' PHE . 8.1 p90 -148.47 147.46 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.399 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.14 116.88 28.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . 0.72 ' CB ' HD23 ' A' ' 333' ' ' LEU . 3.9 mm? -61.25 -35.36 77.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' B' ' 549' ' ' SER . 0.5 OUTLIER -67.37 -39.72 85.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.715 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' B' ' 548' ' ' CYS . 15.1 m -72.92 -22.5 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.36 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.522 HD12 ' HB ' ' B' ' 554' ' ' THR . 0.5 OUTLIER -63.07 147.02 51.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.625 ' O ' HG23 ' B' ' 555' ' ' VAL . 0.1 OUTLIER -85.15 -175.28 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.37 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 552' ' ' LYS . . . . . 0.459 ' H ' ' HD2' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -77.9 -34.0 51.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 553' ' ' THR . . . . . 0.697 HG23 ' N ' ' B' ' 554' ' ' THR . 7.1 t -47.86 -56.68 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.536 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 554' ' ' THR . . . . . 0.697 ' N ' HG23 ' B' ' 553' ' ' THR . 4.5 m -61.91 -51.33 68.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 551' ' ' ASP . 85.0 t -45.12 -44.21 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.5 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -62.9 -45.87 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -62.79 -38.07 89.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.96 -45.17 86.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -58.46 -36.7 74.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.09 -41.51 73.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.31 -38.76 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.643 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.5 mt -73.59 -42.96 60.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.607 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.29 -6.51 1.52 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.584 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 564' ' ' THR . . . . . 0.407 HG23 ' N ' ' B' ' 565' ' ' SER . 10.6 t -48.47 -35.9 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 565' ' ' SER . . . . . 0.407 ' N ' HG23 ' B' ' 564' ' ' THR . 0.5 OUTLIER -60.06 126.37 27.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . 63.38 139.93 0.01 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 39.7 p -139.83 45.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 110.473 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 327' ' ' GLN . 13.5 t . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 326' ' ' THR . 8.1 pt20 -44.8 169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.7 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 149.91 54.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . -70.32 -47.55 43.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . 0.67 ' H ' HH11 ' A' ' 330' ' ' ARG . 0.0 OUTLIER -148.57 70.58 10.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 110.605 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.19 161.62 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.916 2.411 . . . . 0.0 111.966 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.2 t -101.53 80.66 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.682 HD13 HG22 ' B' ' 508' ' ' VAL . 0.7 OUTLIER -77.87 104.43 8.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.348 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.76 141.22 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.013 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . . . . . . . . . . . -119.57 135.29 54.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.526 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 8.8 ptt-85 -107.26 134.23 50.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.1 OUTLIER -130.52 89.91 42.54 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -49.71 120.99 6.56 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.312 2.008 . . . . 0.0 111.976 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 341' ' ' ARG . 0.1 OUTLIER -47.51 -38.12 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -52.24 -8.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.409 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.762 ' NH2' HD23 ' B' ' 523' ' ' LEU . 23.6 ttp180 -97.49 -57.9 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ILE . . . . . 0.564 HG21 HG21 ' B' ' 527' ' ' VAL . 5.2 mt -75.28 -58.88 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.2 mm? -68.03 -54.33 19.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 99.8 -103.88 2.75 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -162.12 64.18 1.63 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.675 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -76.06 142.06 24.34 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.762 2.308 . . . . 0.0 112.064 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -138.17 41.35 2.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.502 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.02 -3.28 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 349' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.556 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.35 178.96 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -57.53 -29.64 64.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -41.15 -62.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.572 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 503' ' ' TYR . . . . . 0.423 ' CD2' HD12 ' B' ' 504' ' ' LEU . 16.4 t80 -45.68 -45.83 14.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.614 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 504' ' ' LEU . . . . . 0.536 ' O ' HG23 ' B' ' 508' ' ' VAL . 6.6 mp -68.02 -38.79 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.551 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.2 -46.5 88.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 507' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' B' ' 547' ' ' LEU . 10.1 mt -54.96 -51.78 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 508' ' ' VAL . . . . . 0.682 HG22 HD13 ' A' ' 333' ' ' LEU . 26.8 t -58.9 -56.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.53 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -53.49 -43.59 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.75 -54.24 47.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 511' ' ' HIS . . . . . 0.464 ' CE1' HD11 ' B' ' 547' ' ' LEU . 0.2 OUTLIER -61.95 -35.2 77.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.678 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -57.96 -45.06 87.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -69.6 -43.1 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.58 -38.92 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -7.35 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.512 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 6.6 m -99.6 -24.9 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 517' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.66 162.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 518' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -129.66 7.24 5.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 519' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -93.31 103.6 15.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 520' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -69.02 -32.79 72.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -53.43 58.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -33.82 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 523' ' ' LEU . . . . . 0.762 HD23 ' NH2' ' A' ' 341' ' ' ARG . 2.5 mp -66.5 -45.37 79.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.472 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 524' ' ' GLN . . . . . 0.442 ' HG2' HG23 ' A' ' 342' ' ' ILE . 96.6 mt-30 -57.1 -38.45 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.646 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -65.04 -43.46 92.31 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 526' ' ' ILE . . . . . . . . . . . . . 84.2 mt -55.44 -41.96 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 527' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 342' ' ' ILE . 64.7 t -46.52 -41.03 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.275 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -44.32 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.236 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 36.6 tp -52.81 -39.47 62.42 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.966 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.6 -48.5 80.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.519 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.43 -27.44 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.32 -52.71 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 533' ' ' THR . . . . . . . . . . . . . 2.7 t -73.44 3.87 5.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 40.24 29.36 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 535' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -117.63 99.91 7.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.726 0.298 . . . . 0.0 110.708 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -174.29 -175.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.63 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 537' ' ' HIS . . . . . 0.416 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -137.61 100.86 4.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.264 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.09 133.28 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.406 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -98.0 153.31 18.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.334 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.84 -9.58 30.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.651 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' THR . . . . . 0.434 ' C ' ' HG1' ' B' ' 542' ' ' THR . 45.7 p -140.45 13.83 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' THR . . . . . 0.434 ' HG1' ' C ' ' B' ' 541' ' ' THR . 0.2 OUTLIER -168.15 168.55 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.54 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.15 112.52 11.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.9 OUTLIER -129.36 165.99 20.4 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.447 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' PHE . . . . . 0.579 ' CE1' HD11 ' A' ' 337' ' ' ILE . 7.0 p90 -163.16 144.44 9.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 0.0 OUTLIER -92.98 141.07 28.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.851 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . 0.547 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -74.81 -38.37 62.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.592 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' CYS . . . . . 0.492 ' O ' ' SG ' ' B' ' 548' ' ' CYS . 0.3 OUTLIER -73.13 5.41 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 16.5 t -103.34 -28.28 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.401 HD13 HG21 ' B' ' 554' ' ' THR . 21.1 mt -67.42 151.48 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.626 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.88 152.2 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.499 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 552' ' ' LYS . . . . . 0.54 ' CD ' ' H ' ' B' ' 552' ' ' LYS . 0.1 OUTLIER -41.06 -43.06 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 553' ' ' THR . . . . . . . . . . . . . 81.3 m -47.72 -54.25 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 554' ' ' THR . . . . . 0.401 HG21 HD13 ' B' ' 550' ' ' LEU . 3.8 m -63.82 -47.99 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.679 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . 0.52 HG22 HD21 ' B' ' 507' ' ' LEU . 57.5 t -56.22 -32.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.751 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . 0.553 ' NH1' HE22 ' B' ' 559' ' ' GLN . 33.0 mmt-85 -70.37 -45.6 65.75 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.788 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -61.48 -35.23 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.77 -46.27 82.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.388 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . 0.553 HE22 ' NH1' ' B' ' 556' ' ' ARG . 17.8 mt-30 -54.33 -39.22 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 560' ' ' SER . . . . . . . . . . . . . 8.4 m -70.23 -41.83 73.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.685 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.37 -51.51 34.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.642 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.37 -48.48 65.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.615 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' B' ' 563' ' ' GLU . 0.1 OUTLIER -65.6 -50.47 64.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.712 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 564' ' ' THR . . . . . . . . . . . . . 67.5 p -71.56 85.07 0.86 Allowed 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.641 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 565' ' ' SER . . . . . . . . . . . . . 23.2 t -146.04 77.77 1.5 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.439 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -71.06 77.38 0.56 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 82.8 p -107.6 91.22 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.543 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.52 -1.44 53.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . -166.75 -104.5 0.18 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' GLY . . . . . . . . . . . . . . . 144.08 -125.81 2.56 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.82 61.95 44.58 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.784 0.326 . . . . 0.0 110.729 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -75.01 139.58 24.43 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.643 2.229 . . . . 0.0 112.067 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.23 162.03 13.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.438 HD23 ' CB ' ' B' ' 547' ' ' LEU . 3.8 tp -147.75 100.01 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.259 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.64 141.84 43.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' ALA . . . . . 0.8 ' HB2' ' NE2' ' B' ' 511' ' ' HIS . . . -115.95 131.02 57.06 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.536 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -101.54 128.84 47.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.123 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' B' ' 545' ' ' PHE . 0.2 OUTLIER -127.96 89.61 49.94 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.89 121.35 8.56 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.118 1.879 . . . . 0.0 111.875 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' VAL . . . . . 0.439 ' C ' ' N ' ' A' ' 341' ' ' ARG . 29.7 m -46.13 -32.87 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.638 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' ALA . . . . . . . . . . . . . . . -53.19 -10.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 339' ' ' VAL . 4.3 ttt180 -97.52 -56.61 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ILE . . . . . 0.477 HG21 HG21 ' B' ' 527' ' ' VAL . 4.0 mt -73.15 -59.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.331 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 343' ' ' LEU . 4.3 mm? -65.45 -36.34 83.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.624 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . -89.73 82.04 1.42 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.95 155.37 15.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.55 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.64 128.85 18.78 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.577 2.185 . . . . 0.0 112.175 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -173.58 44.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.3 -165.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.48 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.606 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 499' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.34 42.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.467 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 501' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -103.73 -37.19 7.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 502' ' ' ALA . . . . . . . . . . . . . . . -40.88 -45.58 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.808 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 503' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -61.55 -49.61 75.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 504' ' ' LEU . . . . . 0.652 ' O ' HG23 ' B' ' 508' ' ' VAL . 10.9 mp -65.98 -39.55 90.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.733 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.0 -47.64 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.457 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 506' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.4 -50.14 75.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 507' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' B' ' 547' ' ' LEU . 8.0 mt -54.29 -47.52 72.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.51 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 508' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 504' ' ' LEU . 42.2 t -62.51 -47.48 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 509' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.07 -41.0 70.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 510' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.08 -60.6 3.22 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.392 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 511' ' ' HIS . . . . . 0.8 ' NE2' ' HB2' ' A' ' 335' ' ' ALA . 0.0 OUTLIER -46.37 -39.56 10.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 512' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -63.97 -51.6 63.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 513' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -58.39 -23.87 58.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 514' ' ' LEU . . . . . . . . . . . . . 1.1 mt -86.75 -49.08 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 515' ' ' MET . . . . . . . . . . . . . 11.0 mtt -47.75 -21.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 516' ' ' THR . . . . . . . . . . . . . 17.1 p -95.82 -36.69 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.487 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 517' ' ' LEU . . . . . 0.518 HD23 ' HG2' ' B' ' 519' ' ' GLU . 1.3 mp -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 518' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' B' ' 520' ' ' ARG . 10.6 tpp180 -132.85 9.83 4.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 519' ' ' GLU . . . . . 0.518 ' HG2' HD23 ' B' ' 517' ' ' LEU . 0.5 OUTLIER -48.92 89.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.55 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 520' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' B' ' 518' ' ' ARG . 0.5 OUTLIER -75.04 -38.18 61.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.717 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 521' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -53.3 -53.78 45.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.707 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 522' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.24 -30.41 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 523' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 337' ' ' ILE . 11.3 tp -57.54 -41.38 80.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.781 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 524' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.75 -30.93 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 525' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -77.54 -35.17 53.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.466 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 526' ' ' ILE . . . . . 0.466 HG23 HD21 ' B' ' 558' ' ' LEU . 56.7 mt -62.28 -48.42 88.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.583 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 527' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 342' ' ' ILE . 26.3 t -42.28 -41.28 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.43 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 528' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.15 -49.64 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.38 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -27.96 17.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.503 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 530' ' ' ILE . . . . . . . . . . . . . 4.1 mm -78.09 -52.29 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 531' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -28.91 9.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.286 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 532' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.88 -54.14 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 533' ' ' THR . . . . . 0.446 HG23 ' H ' ' B' ' 535' ' ' HIS . 2.6 t -72.89 -0.12 12.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . . . . . . . . . . . 44.31 27.53 1.2 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 535' ' ' HIS . . . . . 0.446 ' H ' HG23 ' B' ' 533' ' ' THR . 5.5 m80 -113.84 97.27 6.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 0.0 110.781 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 536' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -172.0 -175.42 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 537' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' B' ' 544' ' ' ASP . 0.2 OUTLIER -140.86 101.79 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 538' ' ' ILE . . . . . 0.508 HG23 ' O ' ' B' ' 538' ' ' ILE . 0.9 OUTLIER -91.27 124.79 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.684 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 542' ' ' THR . 0.2 OUTLIER -83.27 156.33 23.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.541 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 540' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -28.88 66.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.723 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' THR . . . . . . . . . . . . . 60.6 p -132.45 24.32 4.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 539' ' ' THR . 0.2 OUTLIER -166.22 167.46 16.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.2 121.0 22.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' B' ' 537' ' ' HIS . 0.8 OUTLIER -140.85 160.7 39.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 -179.643 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' A' ' 337' ' ' ILE . 5.7 p90 -151.8 137.88 18.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.567 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' B' ' 547' ' ' LEU . 2.2 t0 -82.04 138.54 34.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' B' ' 507' ' ' LEU . 3.8 mm? -79.06 -36.01 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.643 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' B' ' 546' ' ' ASP . 8.5 t -77.38 11.35 2.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' SER . . . . . . . . . . . . . 2.3 m -108.58 -28.71 9.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.652 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 19.0 mt -70.04 143.06 52.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.524 ' O ' HG23 ' B' ' 555' ' ' VAL . 9.9 m-20 -78.95 -169.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.472 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 552' ' ' LYS . . . . . 0.419 ' HD3' ' H ' ' B' ' 552' ' ' LYS . 0.0 OUTLIER -72.15 -35.13 68.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.704 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 553' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' B' ' 554' ' ' THR . 0.4 OUTLIER -54.7 -57.56 11.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 554' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' B' ' 553' ' ' THR . 0.0 OUTLIER -61.25 -46.9 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.94 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 551' ' ' ASP . 78.1 t -54.81 -42.05 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.926 0.393 . . . . 0.0 110.588 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 556' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' B' ' 556' ' ' ARG . 0.0 OUTLIER -64.32 -44.02 92.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -63.6 -40.36 96.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.746 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . 0.466 HD21 HG23 ' B' ' 526' ' ' ILE . 96.5 mt -64.7 -43.83 92.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.421 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 560' ' ' SER . . . . . 0.463 ' O ' HG22 ' B' ' 564' ' ' THR . 1.8 t -65.32 -42.58 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 561' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.32 -47.59 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.86 -40.58 97.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' B' ' 565' ' ' SER . 28.1 mt-10 -62.05 -91.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.489 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 564' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 560' ' ' SER . 0.0 OUTLIER -45.54 92.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.36 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 565' ' ' SER . . . . . 0.476 ' N ' ' O ' ' B' ' 563' ' ' GLU . 6.7 t -121.8 62.63 0.93 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.594 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 566' ' ' GLY . . . . . . . . . . . . . . . -71.48 -88.09 0.13 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . 0.413 HG22 ' H ' ' B' ' 567' ' ' THR . 0.0 OUTLIER -66.58 120.19 13.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.369 . . . . 0.0 110.634 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 568' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.548 179.831 . . . . . . . . 1 1 . 1 stop_ save_